SCHEMBL2418539

SCHEMBL2418539

Nc1cccc(C(C=Cc2ccccc2)S(=O)(=O)C(C=Cc2ccccc2)c2cccc(N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.50
▸ MAOA P21397 3/20 0.50
▸ MAOB P27338 2/20 0.50
▸ CYP1A2 P05177 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ CPN1 P15169 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CYP1B1 Q16678 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA12 O43570 1/20 0.35

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
SCHEMBL7107957 0.84 CYP1A2 (0.52) MAOBCYP1A2LMNAMAPTCYP1B1
SCHEMBL7107955 0.84 CYP1A2 (0.52) MAOBCYP1A2LMNAMAPTCYP1B1
SCHEMBL28853030 0.82 CYP1A2 (0.45) MAOAMAOBCYP1A2LMNAMAPT
SCHEMBL28184891 0.82 PPARG (0.47) MAOAMAOBCYP1A2TDP1
SCHEMBL2421153 0.77 NFE2L2 (0.57) CYP19A1MAOBLMNAMAPTNPC1
SCHEMBL1635965 0.74 CYP1A2 (0.49) CYP19A1MAOAMAOBCYP1A2LMNA
SCHEMBL5074691 0.73 NFE2L2 (0.50) MAOBCYP1A2NPSR1LMNAMAPT
SCHEMBL28184213 0.73 CYP3A4 (0.47) CYP19A1MAOAMAOBCYP1A2LMNA
SCHEMBL5076198 0.70 CYP1A2 (0.49) MAOBCYP1A2LMNAMAPTALDH1A1
SCHEMBL27999893 0.70 CYP1A2 (0.41) CYP1A2NPSR1LMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324190-B2 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones Temple University—Of the Commonwealth System of Higher Education (US) 2012-12-04 — — US disclosed
EP-1487428-B1 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-09-21 — — EP disclosed
US-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-12 — — US disclosed
US-7598232-B2 Amino-substituted (E)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-10-06 — — US disclosed
EP-1487428-A4 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-04-19 — — EP disclosed
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-06-16 — — US disclosed
EP-1487428-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2004-12-22 — — EP disclosed
WO-2003072062-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 — — 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 (2 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-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones CCNY, CCND2, ETV6 CYP19A1 653/4885MAOA 2255/4885MAOB 387/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 CYP19A1 1374/4885MAOA 2903/4885MAOB 725/4885

“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.

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