SCHEMBL4597925

SCHEMBL4597925

COc1ccc(C(=O)C(C)C)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
LMNA P02545 2/20 0.67
MAPK1 P28482 2/20 0.67
RAB9A P51151 1/20 0.67
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KDM4E B2RXH2 1/20 0.49
DBH P09172 1/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ACHE P22303 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL12780302 0.86 RAB9A (0.49) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL25139939 0.85 KCNQ3 (0.55) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL13304095 0.84 HTT (0.59) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL17996478 0.84 HTT (0.59) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL758674 0.84 TSHR (0.66) LMNAMAPK1KDM4EDBHGAA
SCHEMBL18290791 0.82 EPHX2 (0.51) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL28217099 0.82 HTT (0.76) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL2843396 0.82 HTT (0.60) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL6335127 0.81 TAS1R3 (0.56) HTTLMNATAS1R3TAS1R1KDM4E
SCHEMBL25139441 0.81 RECQL (0.65) HTTRAB9AKDM4EDBHGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-12-28 US disclosed
US-20210379056-A1 SUBSTITUTED PYRAZOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF APPLIED PHARMACEUTICAL SCIENCE, INC. (CN) 2021-12-09 US disclosed
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-09-03 US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
EP-1786823-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-23 EP disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 WO 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 (9 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 HTT 3413/4885LMNA 803/4885MAPK1 2998/4885
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 HTT 607/4885LMNA 3160/4885MAPK1 856/4885
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 HTT 2994/4885LMNA 4745/4885MAPK1 352/4885
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof SUMO2, SUMO1, SUMO3 HTT 3222/4885LMNA 2662/4885MAPK1 1984/4885
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D HTT 98/4885LMNA 4745/4885MAPK1 1139/4885
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF SUMO2, SUMO1, SUMO3 HTT 3222/4885LMNA 2662/4885MAPK1 1984/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 HTT 4297/4885LMNA 954/4885MAPK1 4254/4885
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 HTT 3323/4885LMNA 2532/4885MAPK1 4349/4885
US-20210379056-A1 SUBSTITUTED PYRAZOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF RET, ROR1, WEE1 HTT 2606/4885LMNA 3611/4885MAPK1 62/4885

“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.