SCHEMBL1636034

SCHEMBL1636034

COc1ccc(NC(=O)CC(=O)O)cc1S

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 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
SCHEMBL14799105 0.86 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL1634709 0.83 GAA (0.54) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL14839608 0.79 MEN1 (0.50) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL4206714 0.77 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL1636450 0.75 L3MBTL1 (0.43) SMN1; SMN2MEN1KMT2AMAPK1LMNA
SCHEMBL17372654 0.75 NPC1 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL1635334 0.74 NPSR1 (0.50) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL308447 0.74 L3MBTL1 (0.69) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL2008813 0.73 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL7930456 0.73 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1

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 6 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 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 SMN1; SMN2 2736/4885CYP1A2 1234/4885CYP2C19 2122/4885

“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.