SCHEMBL18919030

SCHEMBL18919030

Cc1ncccc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ ATR Q13535 1/20 0.39
▸ CA2 P00918 7/20 0.39
▸ CA9 Q16790 6/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA12 O43570 3/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRNA7 P36544 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ CA4 P22748 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL16845385 1.00 POLB (0.39) POLBATRCA2CA9CA1
SCHEMBL15442835 0.88 ATR (0.41) POLBATRCA2CA9CA1
SCHEMBL15442834 0.88 ATR (0.41) POLBATRCA2CA9CA1
SCHEMBL15442837 0.88 ATR (0.41) POLBATRCA2CA9CA1
SCHEMBL16845446 0.86 HTT (0.48) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL15559457 0.86 HTT (0.48) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL18919095 0.82 CA1 (0.54) CA2CA9CA1CA12MEN1
SCHEMBL15443153 0.79 NAMPT (0.48) CA2CA9CA1CA12MEN1
SCHEMBL15443152 0.79 NAMPT (0.48) CA2CA9CA1CA12MEN1
SCHEMBL15443151 0.79 NAMPT (0.48) CA2CA9CA1CA12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 — — EP disclosed
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 — — US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — 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-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I CHRNA7, CHRNA5, CHRNA6 POLB 2943/4885ATR 3837/4885CA2 2747/4885

“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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