SCHEMBL6768686

SCHEMBL6768686

CCOC(=O)c1c(C)noc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 3/20 0.57
PKM P14618 2/20 0.57
POLB P06746 2/20 0.57
TSHR P16473 1/20 0.48
PDE4D Q08499 1/20 0.47
HTT P42858 2/20 0.45
CACNA1F O60840 2/20 0.44
CACNA1D Q01668 2/20 0.44
CACNA1S Q13698 2/20 0.44
CACNA1C Q13936 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL2775305 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL7597949 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL9446167 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL14710756 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL2775353 0.79 TSHR (0.56) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL20027632 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL7597954 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL15525136 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL10821231 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EPKMPOLBTSHR
SCHEMBL9446171 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EPKMPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428430-B2 Oxabicyclo acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 US disclosed
EP-3853232-B1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 EP disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-10-14 US disclosed
CN-113366000-A Oxabicyclic acids as LPA antagonists 百时美施贵宝公司 2021-09-07 CN disclosed
EP-3853232-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 EP disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
WO-2020060914-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 WO disclosed
US-9533977-B2 Oxazolidinone derivative as CETP inhibitor, its preparation method, and pharmaceutical composition comprising the same DONG-A ST CO., LTD. (KR) 2017-01-03 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP disclosed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 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 (4 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885KDM4E 4418/4885PKM 2118/4885
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 ALDH1A1 2782/4885KDM4E 3643/4885PKM 2099/4885
US-12428430-B2 Oxabicyclo acids as LPA antagonists LPAR1, LPAR2, LPAR3 ALDH1A1 1885/4885KDM4E 4479/4885PKM 2981/4885
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR3 ALDH1A1 1885/4885KDM4E 4479/4885PKM 2981/4885

“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.