SCHEMBL1635583

SCHEMBL1635583

COC(=O)C(F)(F)C(=O)Oc1cc(NC(=O)C=Cc2c(OC)cc(OC)cc2OC)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.49
PTGS2 P35354 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TP53 P04637 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL1635582 1.00 TRPV1 (0.49) TRPV1PTGS2ABCG2CYP1A2CYP2C9
SCHEMBL1635276 0.93 TRPV1 (0.48) TRPV1PTGS2ABCG2CYP1A2CYP2C9
SCHEMBL1635275 0.93 TRPV1 (0.48) TRPV1PTGS2ABCG2CYP1A2CYP2C9
SCHEMBL1635163 0.92 TRPV1 (0.51) TRPV1PTGS2ABCG2CYP1A2CYP2C9
SCHEMBL1635904 0.90 TRPV1 (0.49) TRPV1PTGS2ABCG2CYP1A2CYP2C9
SCHEMBL1635903 0.90 TRPV1 (0.49) TRPV1PTGS2ABCG2CYP1A2CYP2C9
SCHEMBL1636461 0.88 TRPV1 (0.47) TRPV1PTGS2ABCG2CYP1A2CYP2C9
SCHEMBL1635865 0.87 TRPV1 (0.54) TRPV1PTGS2ABCG2MAPTMEN1
SCHEMBL1635867 0.87 TRPV1 (0.54) TRPV1PTGS2ABCG2MAPTMEN1
SCHEMBL1635538 0.85 PTGS2 (0.53) TRPV1PTGS2ABCG2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138832-A1 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University - Of The Commonwealth System of Higher Education (US) 2017-03-08 EP claimed
US-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-06 US claimed
US-7932242-B2 Anticancer agents; radiation and chemical resistance TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-04-26 US disclosed
US-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-06 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 (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-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders PCNA, MKI67, TP53 TRPV1 4766/4885PTGS2 439/4885ABCG2 1761/4885

“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.