Sugi Predict

Sugi Predict / Compounds / SCHEMBL19378573

SCHEMBL19378573

SCHEMBL19378573

NS(=O)(=O)c1ccc([C@@H]2[C@@H](C(=O)O)C2(Cl)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.44
▸ CA1 P00915 11/20 0.44
▸ CA12 O43570 10/20 0.44
▸ CA9 Q16790 10/20 0.44
▸ CA7 P43166 6/20 0.44
▸ CA14 Q9ULX7 5/20 0.44
▸ CA3 P07451 3/20 0.44
▸ CA6 P23280 3/20 0.44
▸ CA5A P35218 3/20 0.44
▸ CA5B Q9Y2D0 3/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CA4 P22748 3/20 0.44
▸ CA13 Q8N1Q1 2/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLA2G7 Q13093 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
SCHEMBL19378571 1.00 CA2 (0.44) CA2CA1CA12CA9CA7
SCHEMBL19378575 1.00 CA2 (0.44) CA2CA1CA12CA9CA7
SCHEMBL19385960 1.00 CA2 (0.44) CA2CA1CA12CA9CA7
SCHEMBL19378658 0.82 CA1 (0.47) CA2CA1CA12CA9CA7
SCHEMBL19378655 0.82 CA1 (0.47) CA2CA1CA12CA9CA7
SCHEMBL19378659 0.82 CA1 (0.47) CA2CA1CA12CA9CA7
SCHEMBL19378559 0.81 CA2 (0.45) CA2CA1CA12CA9CA7
SCHEMBL16819936 0.81 CA2 (0.45) CA2CA1CA12CA9CA7
SCHEMBL19378497 0.81 CHRNA7 (0.45) CA2CA1CA12CA9CA7
SCHEMBL16819955 0.81 CA2 (0.45) CA2CA1CA12CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — 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 (3 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 4371/4885CA1 3050/4885CA12 4624/4885
US-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 CA2 4353/4885CA1 3053/4885CA12 4597/4885
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 CA2 4353/4885CA1 3053/4885CA12 4597/4885

“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.