SCHEMBL16819953

SCHEMBL16819953

CC1(C)C(CO)C1c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.44
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA9 Q16790 5/20 0.44
CA6 P23280 4/20 0.44
CA5A P35218 4/20 0.44
CA7 P43166 4/20 0.44
CA5B Q9Y2D0 4/20 0.44
CA4 P22748 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CHRNA7 P36544 5/20 0.41
CA3 P07451 2/20 0.40
CA13 Q8N1Q1 1/20 0.40

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
SCHEMBL15557346 1.00 CA2 (0.44) CA2CA12CA1CA9CA6
SCHEMBL18938370 1.00 CA2 (0.44) CA2CA12CA1CA9CA6
SCHEMBL16819914 1.00 CA2 (0.44) CA2CA12CA1CA9CA6
SCHEMBL18906099 1.00 CA2 (0.44) CA2CA12CA1CA9CA6
SCHEMBL18906100 0.78 ALDH1A1 (0.43) CA2CA12CA1CA9
SCHEMBL22344053 0.78 CA12 (0.45) CA2CA12CA1CA9CA6
SCHEMBL18906101 0.78 ALDH1A1 (0.43) CA2CA12CA1CA9
SCHEMBL22344055 0.78 CA12 (0.45) CA2CA12CA1CA9CA6
SCHEMBL19405171 0.78 CA2 (0.47) CA2CA12CA1CA9CA6
SCHEMBL3294029 0.78 CA2 (0.47) CA2CA12CA1CA9CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153649-B Allosteric modulators of nicotinic acetylcholine receptors 默沙东公司 2022-04-19 CN disclosed
EP-3433234-B1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-20190337910-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 EP disclosed
US-9994518-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9926285-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2018-03-27 US disclosed
US-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-9840481-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US 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-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 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
US-20170152221-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-06-01 US disclosed
EP-3154537-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2017-04-19 EP disclosed
WO-2015191799-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2015-12-17 WO 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 (6 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-20190337910-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 CA2 4371/4885CA12 4624/4885CA1 3050/4885
US-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 CA2 4353/4885CA12 4597/4885CA1 3053/4885
US-20170152221-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF CHRNA7, CHRNA10, CHRNA5 CA2 2138/4885CA12 2793/4885CA1 823/4885
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I CHRNA7, CHRNA5, CHRNA6 CA2 2747/4885CA12 3185/4885CA1 1704/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 CA2 2752/4885CA12 3273/4885CA1 2274/4885
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 CA2 4353/4885CA12 4597/4885CA1 3053/4885

“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.