SCHEMBL4184894

SCHEMBL4184894

COc1ccc(S(=O)(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ GAA P10253 1/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ SNCA P37840 1/20 0.43

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
SCHEMBL4184889 1.00 MAOA (0.55) MAOAMAOBGAAPTGS2PTGS1
SCHEMBL4184895 1.00 MAOA (0.55) MAOAMAOBGAAPTGS2PTGS1
SCHEMBL4181853 0.85 PKM (0.47) PTGS2SMN1; SMN2PKMHPGDF2
SCHEMBL4181849 0.85 PKM (0.47) PTGS2SMN1; SMN2PKMHPGDF2
SCHEMBL4181848 0.85 PKM (0.47) PTGS2SMN1; SMN2PKMHPGDF2
SCHEMBL4184921 0.84 BRAF (0.52) MAOBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4184924 0.84 BRAF (0.52) MAOBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4184916 0.84 BRAF (0.52) MAOBMAPTALDH1A1SMN1; SMN2KDM4E
Carbamic Acid SCHEMBL30763479 0.76 APP (0.58) MAOAMAOBGAAMAPTALDH1A1
SCHEMBL4172505 0.75 ABCG2 (0.46) MAOAPTGS2MAPTALDH1A1SMN1; SMN2

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 4530/4885MAOB 4309/4885GAA 2400/4885

“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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