SCHEMBL3097763

SCHEMBL3097763

CC(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2A6 P11509 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
MEN1 O00255 1/20 0.67
POLB P06746 1/20 0.67
KMT2A Q03164 1/20 0.67
NPC1 O15118 2/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HPGD P15428 1/20 0.66
HDAC1 Q13547 1/20 0.65
HDAC6 Q9UBN7 1/20 0.61
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL15177332 0.96 RAB9A (0.73) RAB9ACYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL2560736 0.85 HDAC6 (0.69) RAB9ACYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL13680649 0.84 HSD17B1 (0.63) CYP3A4CYP2A6CYP2C9CYP2C19KDM4E
SCHEMBL27623980 0.83 RAB9A (0.71) RAB9AMEN1POLBKMT2ANPC1
SCHEMBL1761545 0.83 RAB9A (0.92) RAB9AMEN1POLBKMT2ANPC1
SCHEMBL2254356 0.83 HDAC6 (0.64) RAB9ACYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL1356959 0.83 LMNA (0.70) RAB9ACYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL9910293 0.82 HSD17B1 (0.61) RAB9ACYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL3305569 0.82 ESR1 (0.59) CYP3A4CYP2A6CYP2C9CYP2C19KDM4E
SCHEMBL10275320 0.82 RAB9A (0.69) RAB9AMEN1POLBKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478500-B Coumarin two-photon initiator and synthesis method and application thereof 浙江大学 2024-03-29 CN claimed
CN-114478500-B Coumarin two-photon initiator and synthesis method and application thereof 浙江大学 2024-03-29 CN disclosed
US-20230096028-A1 BICYCLIC HETEROCYCLYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2023-03-30 US disclosed
CN-114478500-A Coumarin two-photon initiator and synthesis method and application thereof 浙江大学 2022-05-13 CN disclosed
EP-3930845-A1 BICYCLIC HETEROCYCLYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-01-05 EP disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
EP-1695972-A1 PROCESS FOR PRODUCING 2-ACYLTHIOPHENE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-08-30 EP disclosed
WO-2006063154-A1 COMPOSITION FOR PROTEASOME INHIBITION PROTEOLIX, INC. (US) 2006-06-15 WO disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed
US-4105663-A HYPOTENSIVE, BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-08-08 US disclosed
US-4093628-A HYPOTENSIVE AGENTS, BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-06-06 US disclosed
US-4082772-A HYPOTENSIVE AGENTS, B-ADRENERGIC BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-04-04 US disclosed
US-4024156-A Thiophene ethanolamines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-17 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 (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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 RAB9A 4667/4885CYP3A4 1211/4885CYP2A6 412/4885
US-20230096028-A1 BICYCLIC HETEROCYCLYL COMPOUNDS AND USES THEREOF SOST, SOS1, IQGAP1 RAB9A 163/4885CYP3A4 3876/4885CYP2A6 1564/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS RAB9A 2463/4885CYP3A4 1107/4885CYP2A6 1494/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB RAB9A 4089/4885CYP3A4 1950/4885CYP2A6 907/4885

“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.