SCHEMBL4191935

SCHEMBL4191935

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ PLK1 P53350 2/20 0.37
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ MET P08581 1/20 0.36
▸ FECH P22830 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 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
SCHEMBL4191943 1.00 MAOA (0.44) MAOANPC1RAB9ASMN1; SMN2EGFR
SCHEMBL4191938 1.00 MAOA (0.44) MAOANPC1RAB9ASMN1; SMN2EGFR
SCHEMBL4169937 0.92 MEN1 (0.40) SMN1; SMN2TXNRD1ALDH1A1PLK1NQO2
SCHEMBL4169948 0.92 MEN1 (0.40) SMN1; SMN2TXNRD1ALDH1A1PLK1NQO2
SCHEMBL4169942 0.92 MEN1 (0.40) SMN1; SMN2TXNRD1ALDH1A1PLK1NQO2
SCHEMBL4185310 0.81 TXNRD1 (0.40) SMN1; SMN2EGFRERBB2TXNRD1ALDH1A1
SCHEMBL4185305 0.81 TXNRD1 (0.40) SMN1; SMN2EGFRERBB2TXNRD1ALDH1A1
SCHEMBL4185303 0.81 TXNRD1 (0.40) SMN1; SMN2EGFRERBB2TXNRD1ALDH1A1
SCHEMBL4189384 0.80 MAOA (0.46) MAOANPC1RAB9ASMN1; SMN2EGFR
SCHEMBL4189389 0.80 MAOA (0.46) MAOANPC1RAB9ASMN1; SMN2EGFR

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 MAOA 4530/4885NPC1 4546/4885RAB9A 2921/4885

“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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