SCHEMBL12697242

SCHEMBL12697242

Cc1ccc([S+]([O-])C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.33
CA7 P43166 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CHRNA7 P36544 1/20 0.31
MAOA P21397 2/20 0.30
FBP1 P09467 1/20 0.30
MAOB P27338 1/20 0.30
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL16174513 1.00 ACHE (0.40) ACHETDP1GAACA7CA1
SCHEMBL19581795 0.78
SCHEMBL20223483 0.78 MEN1 (0.38) ACHETDP1GAACA7CA1
SCHEMBL12356898 0.78 TYR (0.38) GAAALDH1A1
SCHEMBL16099522 0.78 CYP2A6 (0.38) CA1CA2ALDH1A1MAOA
SCHEMBL13851039 0.78 ACHE (0.36) ACHECA7CA1CA2CA9
SCHEMBL777881 0.77 TDP1 (0.33) ACHETDP1MAOA
SCHEMBL16363530 0.77 TDP1 (0.33) ACHETDP1MAOA
SCHEMBL28625088 0.75 ACHE (0.35) ACHETDP1GAAALDH1A1
SCHEMBL21587159 0.75 CA2 (0.38) TDP1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206175-A1 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND Hua Medicine (Shanghai) Ltd. (CN) 2023-07-05 EP disclosed
EP-3721943-A1 LIPIDS, LIPID COMPOSITIONS AND METHODS OF USING THEM Novartis AG (CH) 2020-10-14 EP disclosed
CN-110041236-A The synthetic method of thio-ether type compounds 天津师范大学 2019-07-23 CN disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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 (4 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 ACHE 725/4885TDP1 3870/4885GAA 2915/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 ACHE 725/4885TDP1 3870/4885GAA 2915/4885
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 ACHE 637/4885TDP1 3694/4885GAA 2794/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 ACHE 520/4885TDP1 2594/4885GAA 1082/4885

“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.