SCHEMBL1634604

SCHEMBL1634604

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALOX5 P09917 1/20 0.42
GAA P10253 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
TP53 P04637 1/20 0.41
KRAS P01116 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1634600 1.00 MAPT (0.46) MAPTALDH1A1LMNAHTTRECQL
SCHEMBL1635162 0.93 ALOX5 (0.49) MAPTALDH1A1LMNAHTTALOX5
SCHEMBL1634058 0.87 ABCG2 (0.43) MAPTALDH1A1NPC1RAB9ACYP2C9
SCHEMBL1636060 0.86 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTCYP3A4
SCHEMBL1636064 0.86 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTCYP3A4
SCHEMBL1122695 0.85 PTGS2 (0.51) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL2212726 0.84 MEN1 (0.56) MAPTALDH1A1LMNAHTTGAA
SCHEMBL2212730 0.84 MEN1 (0.56) MAPTALDH1A1LMNAHTTGAA
SCHEMBL1636451 0.84 KMT2A (0.52) MAPTALDH1A1LMNAHTTRECQL
SCHEMBL1634098 0.83 PLK1 (0.41) MAPTALDH1A1LMNAHTTNPC1

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 5 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
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 MAPT 2810/4885ALDH1A1 564/4885LMNA 2048/4885

“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.