SCHEMBL24025486

SCHEMBL24025486

COC(=O)C1CCC(S(=O)(=O)c2ccc(F)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.41
▸ RORC P51449 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ CCR6 P51684 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
SCHEMBL23779174 0.80 PKM (0.64) PKMALDH1A1HPGDTP53
SCHEMBL30267353 0.78 ALDH1A1 (0.47) PKMMAPTALDH1A1
SCHEMBL13245962 0.77 PKM (0.46) PKMMAPTALDH1A1HPGDNPSR1
SCHEMBL2989019 0.77 PKM (0.46) PKMMAPTALDH1A1HPGDNPSR1
SCHEMBL15152644 0.77 L3MBTL1 (0.47) PKMMAPT
SCHEMBL15152645 0.77 L3MBTL1 (0.47) PKMMAPT
SCHEMBL14345167 0.75 PKM (0.44) PKMRORCMAPTALDH1A1HPGD
SCHEMBL13245959 0.74 MAPT (0.62) PKMMAPTALDH1A1NAMPT
SCHEMBL2993765 0.74 MAPT (0.62) PKMMAPTALDH1A1NAMPT
SCHEMBL2989363 0.72 PKM (0.41) PKMMAPTALDH1A1NAMPT

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-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 PKM 873/4885RORC 2441/4885KDM4E 3461/4885

“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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