SCHEMBL1017827

SCHEMBL1017827

COC(=O)CC(=O)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 3/20 0.40
EPHX2 P34913 4/20 0.39
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL1013082 0.95 EPHX2 (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL1014784 0.93 EPHX2 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL17525561 0.93 EPHX2 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL221809 0.91 GAA (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL20599527 0.90 SMN1; SMN2 (0.45) MGAMGAASIMGAM2EPHX2
SCHEMBL21987775 0.85 BTK (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL22051165 0.85 SMN1; SMN2 (0.40) MGAMGAASIMGAM2EPHX2
SCHEMBL30354325 0.85 SMN1; SMN2 (0.40) MGAMGAASIMGAM2EPHX2
SCHEMBL20599735 0.83 TP53 (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL21987187 0.83 TP53 (0.43) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958562-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-09-10 EP disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-11759454-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-11759454-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed
CN-111491935-B Novel analogs as modulators of androgen and glucocorticoid receptors 昂科斯特拉公司 2023-08-22 CN disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 US disclosed
EP-4196220-A1 TRIAZOLE-PYRIDINYL SUBSTITUTED AZACYCLOHEXYL ACETIC ACID COMPOUNDS AS LPA RECEPTOR ANTAGONISTS Viva Star Biosciences Limited (HK) 2023-06-21 EP disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (7 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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 MGAM 4671/4885GAA 2772/4885SI 1835/4885
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 MGAM 4070/4885GAA 1326/4885SI 1726/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 MGAM 3606/4885GAA 1335/4885SI 2764/4885
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 MGAM 2075/4885GAA 2764/4885SI 502/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 MGAM 3606/4885GAA 1335/4885SI 2764/4885
US-11759454-B2 Diazole lactams CCR1, CCRL2, CCR4 MGAM 2875/4885GAA 2803/4885SI 3033/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 MGAM 4671/4885GAA 2772/4885SI 1835/4885

“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.