SCHEMBL24025546

SCHEMBL24025546

NC/C(=C/F)COc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC2 O75106 12/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAOA P21397 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TNF P01375 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 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
SCHEMBL30916753 1.00 AOC2 (0.51) AOC2KDM4EALDH1A1MAOALMNA
SCHEMBL24057984 1.00 AOC2 (0.51) AOC2KDM4EALDH1A1MAOALMNA
SCHEMBL24058217 0.92 KMT2A (0.53) AOC2ALDH1A1MAOALMNASMN1; SMN2
SCHEMBL24025501 0.92 KMT2A (0.53) AOC2ALDH1A1MAOALMNASMN1; SMN2
SCHEMBL24025477 0.90 AOC2 (0.58) AOC2ALDH1A1MAOAMAOB
SCHEMBL24025660 0.90 AOC2 (0.51) AOC2MAOAMAOB
SCHEMBL24058359 0.90 AOC2 (0.58) AOC2ALDH1A1MAOAMAOB
SCHEMBL24025499 0.89 AOC2 (0.52) AOC2MAOAMAOB
SCHEMBL23779179 0.89 AOC2 (0.52) AOC2MAOAMAOB
SCHEMBL23779177 0.89 AOC2 (0.52) AOC2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873599-B1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-09-27 — — EP disclosed
US-20210353608-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-18 — — 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-20210353608-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ARSA, SULT1A1, SULT2A1 AOC2 4191/4885KDM4E 3461/4885ALDH1A1 455/4885

“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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