SCHEMBL647041

SCHEMBL647041

COC(=O)c1ccccc1SC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.62
GAA P10253 3/20 0.62
RAB9A P51151 2/20 0.62
HSD17B10 Q99714 4/20 0.62
POLB P06746 2/20 0.62
LMNA P02545 2/20 0.57
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PKLR P30613 1/20 0.50

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
SCHEMBL4440485 0.86 HSD17B10 (0.64) TSHRL3MBTL1TDP1SMN1; SMN2GAA
SCHEMBL756511 0.86 POLB (0.64) TSHRL3MBTL1TDP1SMN1; SMN2GAA
SCHEMBL30096217 0.86 POLB (0.64) TSHRL3MBTL1TDP1SMN1; SMN2GAA
SCHEMBL7754027 0.84 HSD17B10 (0.62) TSHRL3MBTL1TDP1SMN1; SMN2GAA
SCHEMBL2428364 0.83 TSHR (0.56) TSHRL3MBTL1TDP1SMN1; SMN2GAA
Dimethyl Phthalate SCHEMBL27337540 0.83 TSHR (0.65) TSHRL3MBTL1TDP1HSD17B10POLB
SCHEMBL8624849 0.82 HSD17B10 (0.60) TSHRL3MBTL1TDP1SMN1; SMN2GAA
SCHEMBL9789934 0.82 HSD17B10 (0.60) TSHRL3MBTL1TDP1SMN1; SMN2GAA
SCHEMBL11121116 0.82 POLB (0.60) TSHRL3MBTL1TDP1SMN1; SMN2GAA
SCHEMBL514743 0.82 TSHR (0.51) TSHRL3MBTL1TDP1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151553-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
WO-2025096734-A1 MICROCAPSULES FMC CORPORATION (US) 2025-05-08 WO disclosed
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
CN-115151553-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-10-04 CN disclosed
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
WO-2021143923-A1 BORONIC ACID DERIVATIVES 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
WO-2021143923-A1 BORONIC ACID DERIVATIVES 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN disclosed
CN-1298404-A Inhibitors of phospholipase A2 GENETICS INST (US) 2001-06-06 CN disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
US-5817777-A SEQUESTERING AMERSHAM INTERNATIONAL PLC (GB) 1998-10-06 US disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
US-3984573-A ENHANCING CONCORD GRAPE FLAVOR GIVAUDAN CORPORATION (US) 1976-10-05 US disclosed
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 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 (3 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 TSHR 494/4885L3MBTL1 4109/4885TDP1 3406/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 TSHR 497/4885L3MBTL1 4017/4885TDP1 3355/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 TSHR 128/4885L3MBTL1 4693/4885TDP1 3940/4885

“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.