SCHEMBL16820019

SCHEMBL16820019

Cc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ HTT P42858 2/20 0.45
▸ CA2 P00918 5/20 0.45
▸ CA12 O43570 4/20 0.45
▸ CA1 P00915 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ POLB P06746 4/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 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
SCHEMBL16845529 1.00 MAPT (0.46) MAPTALDH1A1GAAHTTCA2
SCHEMBL16819942 0.88 POLB (0.43) MAPTALDH1A1GAAHTTCA2
SCHEMBL16819981 0.88 POLB (0.43) MAPTALDH1A1GAAHTTCA2
SCHEMBL15443440 0.86 ALDH1A1 (0.54) MAPTALDH1A1CA2CA12CA1
SCHEMBL15443439 0.86 ALDH1A1 (0.54) MAPTALDH1A1CA2CA12CA1
SCHEMBL15443442 0.86 ALDH1A1 (0.54) MAPTALDH1A1CA2CA12CA1
SCHEMBL16845445 0.85 CA2 (0.44) MAPTALDH1A1HTTCA2CA12
SCHEMBL16819975 0.85 CA2 (0.44) MAPTALDH1A1HTTCA2CA12
SCHEMBL18919029 0.85 CA2 (0.44) MAPTALDH1A1HTTCA2CA12
SCHEMBL16820003 0.85 CA1 (0.44) ALDH1A1HTTCA2CA12CA1

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 5 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
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 (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 MAPT 1141/4885ALDH1A1 846/4885GAA 1183/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 MAPT 750/4885ALDH1A1 1762/4885GAA 1439/4885

“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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