SCHEMBL4182828

SCHEMBL4182828

CCOc1ccc(/C=C(\C(N)=O)S(=O)(=O)Cc2ccc(F)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ IKBKG Q9Y6K9 1/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL4182835 1.00 PTPN7 (0.46) PTPN7PTPN12PTPN22MAPK1IKBKB
SCHEMBL4182838 1.00 PTPN7 (0.46) PTPN7PTPN12PTPN22MAPK1IKBKB
SCHEMBL4174021 0.90 TACR2 (0.47) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL4174013 0.90 TACR2 (0.47) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL4174018 0.90 TACR2 (0.47) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL4177540 0.87 MAPT (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4177534 0.87 MAPT (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4177545 0.87 MAPT (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4188504 0.80 BRAF (0.48) ALDH1A1SMN1; SMN2NFE2L2HTT
SCHEMBL4188507 0.80 BRAF (0.48) ALDH1A1SMN1; SMN2NFE2L2HTT

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 PTPN7 1865/4885PTPN12 1760/4885PTPN22 1410/4885

“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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