SCHEMBL1105200

SCHEMBL1105200

CC(C)S(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.65
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
F2 P00734 3/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
EDNRA P25101 9/20 0.52
KDM4E B2RXH2 1/20 0.49
NSD2 O96028 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EDNRB P24530 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6046339 0.87 CA2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL7558142 0.87 CA2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL27495668 0.82 CA2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL13588761 0.82 HTR6 (0.56) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL3762979 0.81 CA2 (0.54) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1268593 0.81 CA2 (0.54) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL9019311 0.80 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1131010 0.80 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL14176763 0.80 CA2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL22068731 0.80 CA2 (0.60) CA2CYP1A2CYP2C19HTTHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191549-A1 FLUORESCENT PROBE FOR LABELING M1 MACROPHAGES, AND M1 MACROPHAGE MONITORING SYSTEM USING SAME 기초과학연구원 2023-10-05 WO disclosed
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-20220308043-A1 FLUORESCENT PROBES FOR IDENTIFICATION AND QUANTIFICATION OF HEPATIC TRANSPORTERS IN VITRO AND IN VIVO CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-29 US disclosed
US-20210379190-A1 FAP-ACTIVATED PROTEASOME INHIBITORS FOR TREATING SOLID TUMORS TRUSTEES OF TUFTS COLLEGE 2021-12-09 US disclosed
US-11065339-B2 FAP-activated proteasome inhibitors for treating solid tumors TRUSTEES OF TUFTS COLLEGE (US) 2021-07-20 US disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-11034991-B2 Methods to determine KDM1A target engagement and chemoprobes useful therefor ORYZON GENOMICS S.A. (ES) 2021-06-15 US disclosed
US-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-18 US disclosed
US-20200323994-A1 FAP-ACTIVATED PROTEASOME INHIBITORS FOR TREATING SOLID TUMORS TRUSTEES OF TUFTS COLLEGE 2020-10-15 US disclosed
WO-2020206979-A1 SEMI-CONDUCTIVE SHIELDING MATERIAL FOR HIGH VOLTAGE CABLE, AND PREPARATION METHOD AND USE THEREOF 江苏德威新材料股份有限公司 2020-10-15 WO disclosed
US-9351491-B2 Inhibition and dispersion of biofilms in plants with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2016-05-31 US disclosed
US-9296693-B2 Acyl piperidine inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-29 US disclosed
US-20140255300-A1 FAP-Activated Proteasome Inhibitors for Treating Solid Tumors TRUSTEES OF TUFTS COLLEGE (US) 2014-09-11 US disclosed
US-20130143925-A1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
WO-2013033396-A2 FAP-ACTIVATED PROTEASOME INHIBITORS FOR TREATING SOLID TUMORS TRUSTEES OF TUFTS COLLEGE (US) 2013-03-07 WO disclosed
US-8153393-B2 Spirolactam targeting compounds and related compounds UNIVERSITY OF MASSACHUSETTS (US) 2012-04-10 US disclosed
US-20110294668-A1 INHIBITION AND DISPERSION OF BIOFILMS IN PLANTS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-01 US disclosed
WO-2011089257-A1 METHOD FOR DETERMINING THE ACTIVITY OF TRANSGLUTAMINASE FACTOR XIIIA PHILIPPS-UNIVERSITÄT MARBURG (DE) 2011-07-28 WO disclosed
US-20080233609-A1 Spirolactam Targeting Compounds and Related Compounds UNIVERSITY OF MASSACHUSETTS 2008-09-25 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140255300-A1 FAP-Activated Proteasome Inhibitors for Treating Solid Tumors FAP, PSMA1, PSMA6 CA2 3227/4885CYP1A2 3298/4885CYP2C19 2537/4885
US-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES DHPS, QDPR, HTR5A CA2 4007/4885CYP1A2 243/4885CYP2C19 1161/4885
US-20210379190-A1 FAP-ACTIVATED PROTEASOME INHIBITORS FOR TREATING SOLID TUMORS FAP, PSMA1, PSMA6 CA2 3227/4885CYP1A2 3298/4885CYP2C19 2537/4885
US-11065339-B2 FAP-activated proteasome inhibitors for treating solid tumors FAP, PSMA1, PSMA6 CA2 3227/4885CYP1A2 3298/4885CYP2C19 2537/4885
US-20110294668-A1 INHIBITION AND DISPERSION OF BIOFILMS IN PLANTS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES SOD1, APOBEC3A, CLPP CA2 1974/4885CYP1A2 939/4885CYP2C19 708/4885
US-20130143925-A1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, FAAH, FAAH2 CA2 3835/4885CYP1A2 252/4885CYP2C19 878/4885
US-20080233609-A1 Spirolactam Targeting Compounds and Related Compounds AGTR2, AGTR1, REN CA2 1729/4885CYP1A2 3110/4885CYP2C19 2098/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 CA2 1532/4885CYP1A2 98/4885CYP2C19 44/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CA2 3978/4885CYP1A2 1069/4885CYP2C19 3141/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 CA2 1582/4885CYP1A2 106/4885CYP2C19 40/4885
US-20200323994-A1 FAP-ACTIVATED PROTEASOME INHIBITORS FOR TREATING SOLID TUMORS FAP, PSMA1, PSMA6 CA2 3227/4885CYP1A2 3298/4885CYP2C19 2537/4885
US-20220308043-A1 FLUORESCENT PROBES FOR IDENTIFICATION AND QUANTIFICATION OF HEPATIC TRANSPORTERS IN VITRO AND IN VIVO ABCB11, SLC10A1, SLC10A2 CA2 967/4885CYP1A2 669/4885CYP2C19 1830/4885
US-11034991-B2 Methods to determine KDM1A target engagement and chemoprobes useful therefor KDM1B, KDM1A, KDM7A CA2 2841/4885CYP1A2 4170/4885CYP2C19 4815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.