SCHEMBL20141107

SCHEMBL20141107

CC(C)(C)OC(=O)n1ccc(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ROCK2 O75116 1/20 0.35
BUB1 O43683 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
POLB P06746 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
FAAH O00519 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
SCD O00767 1/20 0.32
RORC P51449 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL18068142 0.81 BCHE (0.36) BCHEROCK2BUB1HSP90AA1HSP90AB1
SCHEMBL2013279 0.81 NOS1 (0.46) BCHEBUB1HSP90AA1HSP90AB1GPR119
SCHEMBL2959354 0.81 BCHE (0.38) BCHEROCK2BUB1HSP90AA1HSP90AB1
SCHEMBL159357 0.81 BCHE (0.38) BCHEROCK2BUB1HSP90AA1HSP90AB1
SCHEMBL22952412 0.79 BCHE (0.37) BCHEROCK2BUB1HSP90AA1HSP90AB1
SCHEMBL17377610 0.79 BCHE (0.37) BCHEROCK2BUB1HSP90AA1HSP90AB1
SCHEMBL306662 0.79 HSP90AA1 (0.39) BCHEROCK2BUB1HSP90AA1HSP90AB1
SCHEMBL2006922 0.79 BCHE (0.35) BCHEROCK2BUB1HSP90AA1HSP90AB1
SCHEMBL22290799 0.78 CYP4F2 (0.39) BCHEPOLBELANEMEN1KMT2A
SCHEMBL17633162 0.78 CYP4F2 (0.39) BCHEROCK2BUB1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036731-A CB1 receptor inverse agonist compound, pharmaceutical composition, preparation method and application thereof 北京康辰药业股份有限公司 2026-05-15 CN disclosed
US-20260042759-A1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2026-02-12 US disclosed
US-12466823-B2 Inhibitor containing bicyclic derivative, preparation method therefor and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-11-11 US disclosed
EP-3971187-B1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2025-05-07 EP disclosed
WO-2025073290-A1 VPS4 INHIBITORS AND METHODS OF USE THEREOF PARA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
EP-4426681-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS Sitryx Therapeutics Limited (GB) 2024-09-11 EP disclosed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN disclosed
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN disclosed
CN-116444515-A Di-ring derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-18 CN disclosed
EP-3971187-A1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-03-23 EP disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
CN-112368283-A Bicyclic derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-02-12 CN disclosed
WO-2020228756-A1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-11-19 WO disclosed
WO-2020228756-A1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-11-19 WO disclosed
EP-3538525-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 BCHE 3899/4885ROCK2 747/4885BUB1 3772/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV BCHE 4554/4885ROCK2 1203/4885BUB1 3904/4885
US-20260042759-A1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, CYP4A11, CYP11B1 BCHE 411/4885ROCK2 1624/4885BUB1 4362/4885
US-12466823-B2 Inhibitor containing bicyclic derivative, preparation method therefor and use thereof RET, REL, GOT1 BCHE 1018/4885ROCK2 842/4885BUB1 4300/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 BCHE 4391/4885ROCK2 1180/4885BUB1 3766/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV BCHE 4172/4885ROCK2 805/4885BUB1 3928/4885

“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.