SCHEMBL2113176

SCHEMBL2113176

CN(c1ncc(Br)cn1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.34
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP19A1 P11511 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL5762013 0.98 EDNRA (0.33) EDNRAKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL5762009 0.96 EDNRA (0.33) EDNRA
SCHEMBL19782813 0.79 CA12 (0.35) KDM4EALDH1A1ALOX15HSD17B10CYP19A1
SCHEMBL1751661 0.78 KMT2A (0.39) ALDH1A1ALOX15HSD17B10
SCHEMBL567737 0.75 CYP19A1 (0.33) CYP19A1
SCHEMBL2067485 0.73 PIK3C3 (0.45) EDNRAHSD17B10CYP19A1
SCHEMBL3132631 0.73 KDM4E (0.43) KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL629463 0.72 ALDH1A1 (0.48) EDNRAKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL16914055 0.71 KMT2A (0.44) KDM4EALDH1A1HSD17B10CYP19A1
SCHEMBL28940994 0.71 KMT2A (0.35) KDM4EALDH1A1ALOX15HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-115916777-B ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2024-07-12 CN disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
CN-115916777-A ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2023-04-04 CN disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
WO-2022007882-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2022-01-13 WO disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 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 (6 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 EDNRA 502/4885KDM4E 2420/4885ALDH1A1 1598/4885
US-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 EDNRA 167/4885KDM4E 1696/4885ALDH1A1 284/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 EDNRA 920/4885KDM4E 1865/4885ALDH1A1 1618/4885
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ATXN10, GCG, ATXN2L EDNRA 4051/4885KDM4E 1181/4885ALDH1A1 2764/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 EDNRA 167/4885KDM4E 1696/4885ALDH1A1 284/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 EDNRA 502/4885KDM4E 2420/4885ALDH1A1 1598/4885

“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.