SCHEMBL1634053

SCHEMBL1634053

COc1cc(OC)c(C=C[S+]([O-])Cc2ccc(OC)c(OC(=O)c3ccc(N4CCN(C)CC4)cc3)c2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
GFER P55789 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB1 P08183 1/20 0.39
VNN1 O95497 1/20 0.39
KMT2A Q03164 3/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1634047 1.00 NPC1 (0.44) NPC1SMN1; SMN2LMNAPOLBGFER
SCHEMBL3230061 0.85 F10 (0.49) NPC1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL1634386 0.84 ABCG2 (0.43) NPC1LMNAHTTALDH1A1MAPT
SCHEMBL1636188 0.84 PLK1 (0.51) NPC1SMN1; SMN2LMNAPOLBGFER
SCHEMBL1634855 0.84 KMT2A (0.52) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL1634857 0.84 KMT2A (0.52) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL1634248 0.84 PTGS1 (0.38) GFERALDH1A1KMT2ATP53MAPK1
SCHEMBL1635983 0.82 MAPT (0.47) NPC1SMN1; SMN2LMNARAB9AGAA
SCHEMBL1634840 0.81 ABCG2 (0.40) NPC1SMN1; SMN2LMNAHTTMAPT
SCHEMBL1635408 0.80 ABCG2 (0.42) NPC1SMN1; SMN2LMNAGAAHTT

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 9 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-7932242-B2 Anticancer agents; radiation and chemical resistance TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-04-26 US 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
EP-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP disclosed
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 disclosed
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 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 NPC1 841/4885SMN1; SMN2 2736/4885LMNA 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.