SCHEMBL8102462

SCHEMBL8102462

CCOC(=O)C1C[C@@H]2C=C[C@H]1O2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
TSHR P16473 1/20 0.37
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA9 Q16790 5/20 0.36
CA12 O43570 5/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4386205 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCTSHRCA1
SCHEMBL5718171 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCTSHRCA1
SCHEMBL8836695 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCTSHRCA1
SCHEMBL11907582 0.90 NPC1 (0.34) PPM1BPTPN1PPP1CCALDH1A1GAA
SCHEMBL11909862 0.88
SCHEMBL11907282 0.87 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL10502396 0.84 ALDH1A1 (0.37) PPM1BPTPN1PPP1CCTSHRKDM4E
SCHEMBL11907446 0.84
SCHEMBL11908120 0.83 TSHR (0.33) TSHRALDH1A1
SCHEMBL10503552 0.82 NAAA (0.39) TSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO 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 (1 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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 PPM1B 3924/4885PTPN1 4421/4885PPP1CC 4563/4885

“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.