SCHEMBL3173026

SCHEMBL3173026

COc1cc(OC)c(/C=C(/C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)Cc2ccc(Cl)cc2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.63
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KRAS P01116 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL3173020 1.00 BRAF (0.63) BRAFMEN1KMT2AALDH1A1MAPT
SCHEMBL3173031 1.00 BRAF (0.63) BRAFMEN1KMT2AALDH1A1MAPT
SCHEMBL3178262 0.86 MAOA (0.47) BRAFMEN1KMT2AMAPTPTGS2
SCHEMBL3173036 0.86 BRAF (0.60) BRAFMEN1KMT2AALDH1A1MAPT
SCHEMBL3178269 0.86 MAOA (0.47) BRAFMEN1KMT2AMAPTPTGS2
SCHEMBL3178272 0.86 MAOA (0.47) BRAFMEN1KMT2AMAPTPTGS2
SCHEMBL3173047 0.86 BRAF (0.60) BRAFMEN1KMT2AALDH1A1MAPT
SCHEMBL3173053 0.86 BRAF (0.60) BRAFMEN1KMT2AALDH1A1MAPT
SCHEMBL3189423 0.85 BRAF (0.69) BRAFMEN1KMT2AALDH1A1MAPT
SCHEMBL3189431 0.85 BRAF (0.69) BRAFMEN1KMT2AALDH1A1MAPT

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 BRAF 447/4885MEN1 1753/4885KMT2A 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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