SCHEMBL499011

SCHEMBL499011

COc1ccc(CO)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA2 P00918 3/20 0.44
ACHE P22303 1/20 0.43
AR P10275 1/20 0.41
HTT P42858 1/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CA12 O43570 1/20 0.40
FYN P06241 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LDHA P00338 1/20 0.40
TTR P02766 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL3119147 0.94 DRD2 (0.56) DRD2POLBNPC1RAB9ACA2
SCHEMBL7631655 0.88 DRD2 (0.48) DRD2POLBCA2KDM4EATM
SCHEMBL1635299 0.86 DRD2 (0.51) DRD2POLBCA2HTTCA1
SCHEMBL498725 0.84 TTR (0.48) DRD2POLBCA2HTTKDM4E
SCHEMBL6493962 0.84 ATM (0.47) DRD2POLBCA2HTTKDM4E
SCHEMBL1634702 0.84 DRD2 (0.47) DRD2POLBCA2HTTKDM4E
SCHEMBL3113521 0.84 DRD2 (0.41) DRD2POLBNPC1RAB9AHTT
Bromide SCHEMBL5608443 0.83 DRD2 (0.49) DRD2POLBCA2HTTKDM4E
SCHEMBL26491007 0.83 DRD2 (0.43) DRD2POLBNPC1RAB9ACA2
SCHEMBL7532262 0.82 DRD2 (0.58) DRD2NPC1HTTKDM4EALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS EPR PHARMACEUTICALS PVT.LTD 2010-06-17 US disclosed
US-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS EPR PHARMACEUTICALS PVT.LTD 2010-06-17 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-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
US-20050154230-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-07-14 US disclosed
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 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 3103/4885POLB 76/4885NPC1 2108/4885
US-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS PCNA, CDC25B, CCNB1 DRD2 4242/4885POLB 41/4885NPC1 2702/4885
US-20050154230-A1 Urea derivatives SLC14A1, UBA1, VAT1 DRD2 570/4885POLB 2677/4885NPC1 2328/4885

“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.