SCHEMBL1634055

SCHEMBL1634055

COc1cc(OC)c(/C=C/C(=O)Nc2ccc(OC)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
MEN1 O00255 7/20 0.45
MAPT P10636 6/20 0.45
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
BLM P54132 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SETD7 Q8WTS6 1/20 0.42
PTGS2 P35354 1/20 0.42
GLA P06280 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
SCHEMBL4217106 0.85 POLB (0.49) KMT2ANPC1RAB9ATDP1TRPV1
SCHEMBL4217112 0.85 POLB (0.49) KMT2ANPC1RAB9ATDP1TRPV1
SCHEMBL1634646 0.84 HPGD (0.44) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL4209785 0.81 MAPT (0.56) KMT2ANPC1RAB9ATDP1TRPV1
SCHEMBL4209788 0.81 MAPT (0.56) KMT2ANPC1RAB9ATDP1TRPV1
SCHEMBL1634025 0.80 CA12 (0.54) KMT2ANPC1RAB9ATRPV1MEN1
SCHEMBL1636451 0.79 KMT2A (0.52) KMT2ANPC1RAB9ATDP1TRPV1
SCHEMBL1637090 0.79 TRPV1 (0.45) KMT2ATRPV1MEN1MAPTSMN1; SMN2
SCHEMBL1635124 0.79 HTT (0.51) KMT2ATRPV1MEN1MAPTMAPK1
SCHEMBL4655381 0.78 HPGD (0.43) KMT2AMEN1MAPTPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP claimed
JP-2007529530-A 2007-10-25 JP claimed
EP-1740530-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2007-01-10 EP claimed
WO-2005089269-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-09-29 WO claimed
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 disclosed
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 KMT2A 1779/4885NPC1 841/4885RAB9A 2664/4885

“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.