SCHEMBL16819913

SCHEMBL16819913

CC1(C)C(C(=O)Nc2ccc(F)cc2)C1c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 14/20 0.57
▸ CA2 P00918 14/20 0.57
▸ CA9 Q16790 9/20 0.57
▸ CA12 O43570 7/20 0.57
▸ CA4 P22748 4/20 0.57
▸ CA7 P43166 4/20 0.57
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CHRNA7 P36544 1/20 0.46

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
SCHEMBL20707743 1.00 CA1 (0.57) CA1CA2CA9CA12CA4
SCHEMBL16845515 1.00 CA1 (0.57) CA1CA2CA9CA12CA4
SCHEMBL16820018 0.88 SOS1 (0.51) CA1CA2CA9CA12CA4
SCHEMBL16845435 0.88 SOS1 (0.51) CA1CA2CA9CA12CA4
SCHEMBL16845469 0.88 CA1 (0.54) CA1CA2CA9CA12CA4
SCHEMBL16820020 0.88 CA1 (0.54) CA1CA2CA9CA12CA4
SCHEMBL15443152 0.85 NAMPT (0.48) CA1CA2CA9CA12CA4
SCHEMBL15443153 0.85 NAMPT (0.48) CA1CA2CA9CA12CA4
SCHEMBL15443151 0.85 NAMPT (0.48) CA1CA2CA9CA12CA4
SCHEMBL16845520 0.84 CHRNA7 (0.39) CA1CA2CA9CA12CA4

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 4 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
CN-104884432-A Alpha7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME 2015-09-02 — — CN disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 — — 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-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 CA1 2274/4885CA2 2752/4885CA9 3757/4885

“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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