SCHEMBL498702

SCHEMBL498702

COc1ccc(CSCC(=O)O)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LDHA P00338 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 4/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37

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 0.84 CYP1A2 (0.61) CYP1A2ALDH1A1LMNASMN1; SMN2LDHA
SCHEMBL7532262 0.83 DRD2 (0.58) DRD2ALDH1A1LMNASMN1; SMN2LDHA
SCHEMBL3233678 0.82 DRD2 (0.49) DRD2ALDH1A1LMNALDHAKMT2A
SCHEMBL21359165 0.78 DRD2 (0.64) DRD2ALDH1A1LMNALDHAKMT2A
SCHEMBL27118038 0.78 CYP1A2 (0.57) CYP1A2ALDH1A1LMNASMN1; SMN2LDHA
SCHEMBL499011 0.77 DRD2 (0.50) DRD2ALDH1A1LMNASMN1; SMN2LDHA
SCHEMBL1634365 0.77 DRD2 (0.47) DRD2ALDH1A1LMNASMN1; SMN2LDHA
SCHEMBL8520391 0.77 DRD2 (0.57) DRD2LDHAKMT2AMEN1
SCHEMBL1635724 0.76 DRD2 (0.48) DRD2ALDH1A1LDHAKMT2AMEN1
SCHEMBL13302841 0.76 ALDH1A1 (0.53) CYP1A2ALDH1A1LMNASMN1; SMN2KMT2A

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 22 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-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-7932242-B2 Anticancer agents; radiation and chemical resistance TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-04-26 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 DRD2 3103/4885CYP1A2 2023/4885ALDH1A1 1363/4885
US-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders PCNA, MKI67, TP53 DRD2 3551/4885CYP1A2 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 DRD2 1215/4885CYP1A2 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.