SCHEMBL661640

SCHEMBL661640

CC(C)(C)OC(=O)Nc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPSR1 Q6W5P4 1/20 0.55
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX12 P18054 1/20 0.53
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48

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
SCHEMBL13799142 0.91 LMNA (0.47) RAB9ANPC1SMN1; SMN2NPSR1PDK1
SCHEMBL2880191 0.87 LMNA (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL28220374 0.85 RXFP1 (0.47) RAB9ANPC1SMN1; SMN2NPSR1PDK1
SCHEMBL4725312 0.85 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2NPSR1PDK1
SCHEMBL24427984 0.84 CXCR2 (0.48) RAB9ANPC1NPSR1PDK1PDK2
SCHEMBL22874399 0.84 HDAC1 (0.50) RAB9ANPC1SMN1; SMN2NPSR1PDK1
SCHEMBL4365913 0.83 GAA (0.53) RAB9ANPC1SMN1; SMN2NPSR1PDK1
SCHEMBL29353000 0.83 HDAC1 (0.52) RAB9ANPC1LMNAPOLBRXFP1
SCHEMBL211033 0.83 HDAC1 (0.52) RAB9ANPC1LMNAPOLBRXFP1
SCHEMBL513736 0.82 RAB9A (0.64) RAB9ANPC1SMN1; SMN2NPSR1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341352-A Preparation method of flurbiprofen 浙江东亚药业股份有限公司 2021-02-09 CN claimed
CN-103275112-A Method for continuously synthesizing arylboronic acid ester by utilizing microreactor JINAN SHAOYUAN MEDICAL TECHNOLOGY CO LTD 2013-09-04 CN claimed
CN-118186412-A Method for electrochemically synthesizing p-hydroxyphenylamide compound and application thereof 无锡绿能电合科技有限公司 2024-06-14 CN disclosed
CN-116804009-A Intermediate for synthesizing TGF-beta inhibitor and method for preparing TGF-beta inhibitor by using intermediate 株式会社麦迪帕克特 2023-09-26 CN disclosed
US-20230130739-A1 DEUTERATED sGC STIMULATORS TISENTO THERAPEUTICS INC. 2023-04-27 US disclosed
US-11332416-B2 Process for synthesizing fluorinated cyclic aliphatic compounds Westfälische Wilhelms-Universität Münster (DE) 2022-05-17 US disclosed
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
CN-108002976-B Preparation method of 1-fluoro-2-bromo-3-iodobenzene 金凯(辽宁)生命科技股份有限公司 2021-04-23 CN disclosed
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP disclosed
US-4954163-A PRE-AND POSTEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-09-04 US disclosed
US-4886883-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-12 US disclosed
EP-0330137-A1 Intermediate compounds for the preparation of 1,2,4-triazolo [1,5-a]pyrimidine-2-sulfonamides DowElanco (US) 1989-08-30 EP disclosed
US-4818273-A Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides THE DOW CHEMICAL COMPANY (US) 1989-04-04 US disclosed
US-4755212-A Novel substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides and compositions and method for inhibiting pollen formation in corn THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4741764-A SUPPRESSION OF NITRIFICATION OF AMMONIUM NITROGEN IN THE SOIL THE DOW CHEMICAL COMPANY (US) 1988-05-03 US disclosed
US-4740233-A Substituted 1,2,4-triazolo[1,5-a]-pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP 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 (2 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-11332416-B2 Process for synthesizing fluorinated cyclic aliphatic compounds HRH4, HRH1, AHR RAB9A 937/4885NPC1 974/4885SMN1; SMN2 4460/4885
US-20230130739-A1 DEUTERATED sGC STIMULATORS PDE2A, GUCY1A2, PDE3A RAB9A 924/4885NPC1 3188/4885SMN1; SMN2 1040/4885

“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.