SCHEMBL16845469

SCHEMBL16845469

CC1(C)[C@H](C(=O)Nc2ccccc2)[C@H]1c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.54
▸ CA2 P00918 13/20 0.54
▸ CA9 Q16790 12/20 0.54
▸ CA12 O43570 11/20 0.54
▸ PTPN7 P35236 1/20 0.49
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA5B Q9Y2D0 2/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA4 P22748 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44

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
SCHEMBL16820020 1.00 CA1 (0.54) CA1CA2CA9CA12PTPN7
SCHEMBL16819913 0.88 CA1 (0.57) CA1CA2CA9CA12KMT2A
SCHEMBL20707743 0.88 CA1 (0.57) CA1CA2CA9CA12KMT2A
SCHEMBL16845515 0.88 CA1 (0.57) CA1CA2CA9CA12KMT2A
SCHEMBL15443152 0.88 NAMPT (0.48) CA1CA2CA9CA12PTPN7
SCHEMBL15443153 0.88 NAMPT (0.48) CA1CA2CA9CA12PTPN7
SCHEMBL15443151 0.88 NAMPT (0.48) CA1CA2CA9CA12PTPN7
SCHEMBL15560212 0.87 MEN1 (0.59) CA1CA2CA9CA12KMT2A
SCHEMBL16845479 0.87 MEN1 (0.59) CA1CA2CA9CA12KMT2A
SCHEMBL15559553 0.85 MEN1 (0.55) KMT2AMEN1ALDH1A1HSD17B10MAPT

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 7 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-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
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — US disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 — — US 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 (2 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 CA1 1704/4885CA2 2747/4885CA9 3394/4885
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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