SCHEMBL3178269

SCHEMBL3178269

COc1cc(OC)c(/C=C(/C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.47
▸ BRAF P15056 2/20 0.47
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 2/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL3178262 1.00 MAOA (0.47) MAOABRAFKMT2AMEN1MAPT
SCHEMBL3178272 1.00 MAOA (0.47) MAOABRAFKMT2AMEN1MAPT
SCHEMBL3173047 0.90 BRAF (0.60) MAOABRAFKMT2AMEN1MAPT
SCHEMBL3173036 0.90 BRAF (0.60) MAOABRAFKMT2AMEN1MAPT
SCHEMBL3173053 0.90 BRAF (0.60) MAOABRAFKMT2AMEN1MAPT
SCHEMBL3188041 0.87 ABCG2 (0.45) MAOABRAFKMT2ALMNAABCG2
SCHEMBL3188031 0.87 ABCG2 (0.45) MAOABRAFKMT2ALMNAABCG2
SCHEMBL3188047 0.87 ABCG2 (0.45) MAOABRAFKMT2ALMNAABCG2
SCHEMBL3173026 0.86 BRAF (0.63) BRAFKMT2AMEN1MAPTPTGS2
SCHEMBL3173020 0.86 BRAF (0.63) BRAFKMT2AMEN1MAPTPTGS2

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-2091527-B1 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2016-03-23 — — EP claimed
US-8808702-B2 Sulfide, sulfoxide and sulfone chalcone analogues, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-19 — — US claimed
US-20100028368-A1 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-02-04 — — US claimed
EP-2091527-B1 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2016-03-23 — — EP disclosed
US-8808702-B2 Sulfide, sulfoxide and sulfone chalcone analogues, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-19 — — US disclosed
US-20100028368-A1 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-02-04 — — 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-20100028368-A1 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF SULT1E1, RPS3A, SULT1A1 MAOA 4811/4885BRAF 447/4885KMT2A 3337/4885

“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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