SCHEMBL1634932

SCHEMBL1634932

COc1ccc(C(=O)NCC(=O)O)cc1SP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 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
SCHEMBL1635875 0.88 PDE4A (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL1636167 0.86 PDE4A (0.53) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL1635174 0.83 PDE4A (0.54) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL1634504 0.81 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL1634917 0.81 NPC1 (0.58) NPC1RAB9AL3MBTL1SMPD1HDAC1
SCHEMBL1635864 0.77 FOLH1 (0.43) NPC1RAB9ASMPD1HDAC1HDAC8
SCHEMBL1634310 0.77 SMPD1 (0.39) NPC1RAB9ASMPD1HDAC1HDAC8
SCHEMBL1635284 0.76 SMPD1 (0.39) NPC1RAB9ASMPD1HDAC1HDAC8
SCHEMBL8178988 0.74 PDE4A (0.71) NPC1RAB9ASMN1; SMN2MAPTPDE4A
SCHEMBL1635889 0.73 PDE4A (0.62) NPC1RAB9ASMN1; SMN2MAPTPDE4A

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 NPC1 841/4885RAB9A 2664/4885L3MBTL1 2021/4885

“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.