SCHEMBL8771676

SCHEMBL8771676

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.47
PTGS2 P35354 1/20 0.39
NOTUM Q6P988 2/20 0.39
CASP3 P42574 1/20 0.37
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
XDH P47989 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
STS P08842 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPRC P08575 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL17276324 0.87 PDK2 (0.40) PDK2CA12CA1CA2CA7
SCHEMBL8771855 0.85 AR (0.44) KDM4ESMN1; SMN2ALDH1A1PKMHPGD
SCHEMBL6292935 0.83 PDK2 (0.45) PDK2PTGS2NOTUMKDM4ESMN1; SMN2
SCHEMBL2262874 0.81 PDK2 (0.40) PDK2PTGS2NOTUMCASP3CNR2
SCHEMBL6234971 0.77 PDK2 (0.38) PDK2CA12CA1CA2CA7
SCHEMBL8771651 0.76 PTPRC (0.38) PTGS2CASP3CA1CA2CA7
SCHEMBL6810766 0.76 RARA (0.38) PDK2
SCHEMBL2258642 0.75 PDK2 (0.41) PDK2PTGS2NOTUMCASP3POLB
SCHEMBL25717148 0.75 CHRM1 (0.34) PDK2
SCHEMBL12365986 0.75 OPRD1 (0.40) PDK2PTGS2NOTUMCASP3CNR2

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 15 patents. 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-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 US disclosed
EP-3145915-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-03-29 EP disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 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
WO-2015176640-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 WO disclosed
WO-2015176640-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 WO disclosed
WO-2015176267-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 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
CN-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN 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 (2 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-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 PDK2 1684/4885PTGS2 1317/4885NOTUM 1389/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 PDK2 1684/4885PTGS2 1317/4885NOTUM 1389/4885

“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.