SCHEMBL1636586

SCHEMBL1636586

CCOP(=O)(OCC)Sc1cc(CS(=O)(=O)CC(=O)O)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.39
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 3/20 0.34
MET P08581 1/20 0.33
NQO2 P16083 1/20 0.33
FECH P22830 1/20 0.33
CLK3 P49761 1/20 0.33
PLK1 P53350 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LDHA P00338 1/20 0.33
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL1636268 0.90 CA5A (0.39) CA5AGAASMN1; SMN2CA1CA2
SCHEMBL1634310 0.88 SMPD1 (0.39) CA5AGAANPC1RAB9ASMN1; SMN2
SCHEMBL1634882 0.86 CA5A (0.40) CA5AGAASMN1; SMN2CA1CA2
SCHEMBL1634437 0.80 CA5A (0.43) CA5ANPC1RAB9ASMN1; SMN2CA1
SCHEMBL1636241 0.77 IDO1 (0.34) GAASMN1; SMN2CA2ALDH1A1L3MBTL1
SCHEMBL1635731 0.77 GAA (0.34) CA5AGAACA1CA2CA9
SCHEMBL1635281 0.77 L3MBTL1 (0.50) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL1634444 0.76 CA5A (0.44) CA5AGAASMN1; SMN2CA1CA2
SCHEMBL1633749 0.74 PLK1 (0.52) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL1635370 0.74 CA5A (0.38) CA5AGAACA1CA2CA9

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-1740530-B1 SUBSTITUTED PHENOXY- AND PHENYLTHIO-DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2016-09-28 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
EP-1740530-B1 SUBSTITUTED PHENOXY- AND PHENYLTHIO-DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2016-09-28 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 CA5A 1118/4885GAA 1363/4885NPC1 841/4885

“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.