SCHEMBL1840076

SCHEMBL1840076

CS(=O)(=O)c1ccc(C=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 3/20 0.42
ALDH1A1 P00352 2/20 0.40
DPP4 P27487 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 3/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL19259901 0.84 LOX (0.35) LOXALDH1A1DPP4
SCHEMBL2515601 0.79 ALDH1A1 (0.46) LOXALDH1A1DPP4L3MBTL1CYP2A6
SCHEMBL27845900 0.79 LOX (0.43) LOXALDH1A1L3MBTL1LOXL2KMT2A
SCHEMBL15851426 0.78 ALDH1A1 (0.36) ALDH1A1DPP4L3MBTL1CYP2A6CYP2E1
SCHEMBL3022952 0.78 ALDH1A1 (0.36) ALDH1A1DPP4L3MBTL1CYP2A6CYP2E1
SCHEMBL19436416 0.78 LOX (0.57) LOXL3MBTL1LOXL2KMT2A
SCHEMBL2523540 0.76 ALDH1A1 (0.36) ALDH1A1DPP4L3MBTL1CYP2A6CYP2E1
2,5-Thiophenenedicarboxaldehyde SCHEMBL178830 0.72
SCHEMBL7801317 0.72 TBXAS1 (0.43) LOXALDH1A1POLB
SCHEMBL3465940 0.71 LOX (0.41) LOXALDH1A1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563742-B2 Substituted aminothiazole derivatives, pharmaceutical compositions, and methods of use HIGH POINT PHARMACEUTICALS, LLC (US) 2013-10-22 US disclosed
EP-2320738-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TransTech Pharma, Inc. (US) 2011-05-18 EP disclosed
US-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use VTVX HOLDINGS I LLC 2010-03-04 US disclosed
WO-2010025142-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2010-03-04 WO disclosed
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 EP disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 US disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use MC4R, MC3R, MC5R LOX 1895/4885ALDH1A1 2694/4885DPP4 480/4885
US-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 LOX 907/4885ALDH1A1 407/4885DPP4 47/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 LOX 2376/4885ALDH1A1 14/4885DPP4 2033/4885
US-20040220177-A1 Compound for the treatment of abnormal cell growth CCNA1, CCNB1, CCNT1 LOX 3821/4885ALDH1A1 218/4885DPP4 3774/4885

“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.