SCHEMBL16819950

SCHEMBL16819950

Cc1cc(F)ccc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.44
▸ CA1 P00915 7/20 0.44
▸ CA9 Q16790 7/20 0.44
▸ CA12 O43570 5/20 0.44
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ SOS1 Q07889 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL16819942 0.91 POLB (0.43) CA2CA1CA9CA12HTT
SCHEMBL16819981 0.91 POLB (0.43) CA2CA1CA9CA12HTT
SCHEMBL18919029 0.89 CA2 (0.44) CA2CA1CA9CA12HTT
SCHEMBL16819975 0.89 CA2 (0.44) CA2CA1CA9CA12HTT
SCHEMBL16845445 0.89 CA2 (0.44) CA2CA1CA9CA12HTT
SCHEMBL21434206 0.88 CA1 (0.49) CA2CA1CA9CA12CHRNA7
SCHEMBL16819928 0.86 CA1 (0.42) CA2CA1CA9CA12CHRNA7
SCHEMBL16819951 0.86 CA1 (0.42) CA2CA1CA9CA12CHRNA7
SCHEMBL18938279 0.85 SLC9A1 (0.42) CA2CA1CA9CA12HTT
SCHEMBL16845386 0.85 SLC9A1 (0.42) CA2CA1CA9CA12HTT

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
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

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 CA2 2747/4885CA1 1704/4885CA9 3394/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 CA2 2752/4885CA1 2274/4885CA9 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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