Sugi Predict

Sugi Predict / Compounds / SCHEMBL803657

SCHEMBL803657

SCHEMBL803657

COC(=O)c1ccc2c(c1)C(=O)CC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.47
▸ CASP3 P42574 1/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ ATM Q13315 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PTPRC P08575 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL6292717 0.85 CYP3A4 (0.48) PDK2CASP3CYP3A4HSD17B10POLB
SCHEMBL8771839 0.85 PTPN1 (0.52) CYP3A4HSD17B10POLBALDH1A1ATM
SCHEMBL8771845 0.85 PTPN1 (0.52) CYP3A4HSD17B10POLBALDH1A1ATM
SCHEMBL17283097 0.84 CA12 (0.48) PDK2CYP3A4HSD17B10POLBCA12
SCHEMBL485022 0.83 TDP2 (0.50) CYP3A4CYP26A1
SCHEMBL8771758 0.81 RAB9A (0.53) CYP3A4SMN1; SMN2NPSR1MAPTLMNA
SCHEMBL484573 0.81 PDK2 (0.44) PDK2CASP3CYP3A4HSD17B10POLB
SCHEMBL484572 0.81 PDK2 (0.44) PDK2CASP3CYP3A4HSD17B10POLB
SCHEMBL803934 0.81 PDK2 (0.44) PDK2CASP3CYP3A4HSD17B10POLB
SCHEMBL13131194 0.79 CASP3 (0.44) PDK2CASP3CYP3A4HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 — — EP disclosed
US-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 — — US disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 — — US disclosed
WO-2015176267-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 — — WO disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — WO disclosed
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 — — EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 — — US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 — — US disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 — — 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 (5 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN PDK2 1271/4885CASP3 2965/4885CYP3A4 3781/4885
US-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 PDK2 1684/4885CASP3 4200/4885CYP3A4 1122/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN PDK2 1271/4885CASP3 2965/4885CYP3A4 3781/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 PDK2 1684/4885CASP3 4200/4885CYP3A4 1122/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 PDK2 2401/4885CASP3 2092/4885CYP3A4 2055/4885

“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.