SCHEMBL4169942

SCHEMBL4169942

COc1ccc(CS(=O)(=O)/C(=C\c2c(OC)cc(OC)cc2OC)[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ PLK1 P53350 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MET P08581 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ FECH P22830 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 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
SCHEMBL4169937 1.00 MEN1 (0.40) MEN1KMT2ATXNRD1SMN1; SMN2MAPT
SCHEMBL4169948 1.00 MEN1 (0.40) MEN1KMT2ATXNRD1SMN1; SMN2MAPT
SCHEMBL4191935 0.92 MAOA (0.44) TXNRD1SMN1; SMN2MAPTPLK1ALDH1A1
SCHEMBL4191938 0.92 MAOA (0.44) TXNRD1SMN1; SMN2MAPTPLK1ALDH1A1
SCHEMBL4191943 0.92 MAOA (0.44) TXNRD1SMN1; SMN2MAPTPLK1ALDH1A1
SCHEMBL4185305 0.84 TXNRD1 (0.40) MEN1KMT2ATXNRD1SMN1; SMN2ALDH1A1
SCHEMBL4185310 0.84 TXNRD1 (0.40) MEN1KMT2ATXNRD1SMN1; SMN2ALDH1A1
SCHEMBL4185303 0.84 TXNRD1 (0.40) MEN1KMT2ATXNRD1SMN1; SMN2ALDH1A1
SCHEMBL4181498 0.81 ABL1 (0.48) MEN1KMT2ATXNRD1MAPTALDH1A1
SCHEMBL4181495 0.81 ABL1 (0.48) MEN1KMT2ATXNRD1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 MEN1 2503/4885KMT2A 469/4885TXNRD1 116/4885

“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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