SCHEMBL498736

SCHEMBL498736

COc1ccc(CSCC(=O)O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
CYP1A2 P05177 2/20 0.58
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.50
NFKB1 P19838 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
APEX1 P27695 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
CYP19A1 P11511 1/20 0.48
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48

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
SCHEMBL11265685 0.88 CYP1A2 (0.61) GAACYP1A2ALDH1A1TSHRNFKB1
SCHEMBL27118038 0.81 CYP1A2 (0.57) GAACYP1A2ALDH1A1TSHRNFKB1
SCHEMBL3915826 0.80 CYP1A2 (0.51) GAACYP1A2ALDH1A1TSHRNFKB1
SCHEMBL498426 0.79 MEN1 (0.71) GAACYP1A2ALDH1A1MEN1KMT2A
SCHEMBL1634732 0.79 CYP1A2 (0.52) GAACYP1A2ALDH1A1TSHRNFKB1
SCHEMBL347877 0.79 GAA (1.00) GAACYP1A2ALDH1A1TSHRNFKB1
SCHEMBL29699330 0.79 GAA (1.00) GAACYP1A2ALDH1A1TSHRNFKB1
SCHEMBL1634349 0.78 CYP1A2 (0.51) GAACYP1A2ALDH1A1TSHRNFKB1
SCHEMBL23317828 0.77 CYP1A2 (0.59) GAACYP1A2TSHRNFKB1CYP3A4
SCHEMBL2336216 0.76 CYP1A2 (0.55) GAACYP1A2ALDH1A1TSHRALOX15

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP claimed
JP-2007529530-A 2007-10-25 JP claimed
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 claimed
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 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-8735620-B2 Processes for preparing (E)-styrylbenzylsulfone compounds and uses thereof for treating proliferative disorders EPR PHARMACEUTICALS PVT. LTD (IN) 2014-05-27 US disclosed
US-8735620-B2 Processes for preparing (E)-styrylbenzylsulfone compounds and uses thereof for treating proliferative disorders EPR PHARMACEUTICALS PVT. LTD (IN) 2014-05-27 US disclosed
US-8735620-B2 Processes for preparing (E)-styrylbenzylsulfone compounds and uses thereof for treating proliferative disorders EPR PHARMACEUTICALS PVT. LTD (IN) 2014-05-27 US disclosed
US-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 US disclosed
US-8106033-B2 (E)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)acetic acid; antiproliferative; anticarcinogenic agent : solid tumors, leukemia; \"cytoproliferative\" diseases: atherosclerosis, fibrosis, Paget's disease; synergistic effect with other active ingredients TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-01-31 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US disclosed
US-20080161252-A1 Composition and Methods For the Treatment of Proliferative Diseases TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-07-03 US disclosed
WO-2008033475-A2 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC. (US) 2008-03-20 WO 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-2006104668-A2 COMPOSITION AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-10-05 WO 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 (3 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-20080161252-A1 Composition and Methods For the Treatment of Proliferative Diseases CCNH, POLH, CCNO GAA 2776/4885CYP1A2 2023/4885ALDH1A1 1363/4885
US-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders PCNA, MKI67, TP53 GAA 1363/4885CYP1A2 1234/4885ALDH1A1 564/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR GAA 1375/4885CYP1A2 4762/4885ALDH1A1 2628/4885

“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.