SCHEMBL4592604

SCHEMBL4592604

Cc1ccc(S(=O)(=O)OCCn2ccnn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
PSMD10 O75832 1/20 0.39
CYP24A1 Q07973 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NOTUM Q6P988 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR1 P32246 1/20 0.35
CCR2 P41597 1/20 0.35
CCR4 P51679 1/20 0.35
VDR P11473 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL16426339 0.92 CYP24A1 (0.43) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL6647468 0.81 CA1 (0.41) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL10978575 0.80 KDM4E (0.31) KDM4ENOTUMALDH1A1CCR1CCR2
SCHEMBL31662452 0.77 CA12 (0.42) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL5511848 0.76 KDM4E (0.39) MMP9KDM4EALDH1A1
SCHEMBL8211578 0.75 ALDH1A1 (0.44) PSMD10CYP24A1KDM4ECA12CA1
SCHEMBL1464358 0.75 ALDH1A1 (0.57) KDM4ECYP2D6ALDH1A1CYP3A4CYP2C19
SCHEMBL11007032 0.75 PKM (0.50) KDM4ECYP2D6ALDH1A1CYP3A4CYP2C19
SCHEMBL16423315 0.75 PTGS2 (0.40) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL241884 0.75 CA1 (0.52) MMP2MMP9MMP8MMP13CA12

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
US-7405231-B2 Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
EP-1761525-B1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
US-7342030-B2 Indole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-03-11 US disclosed
CN-101010319-A Indole derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-08-01 CN disclosed
US-7235574-B2 Pentafluorosulfanyl compounds HOFFMANN-LA ROCHE INC. (US) 2007-06-26 US disclosed
EP-1797086-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
CN-1950366-A Thioether derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-04-18 CN disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof ASTRAZENECA AB 2003-11-20 US disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 US disclosed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 EP disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
EP-0097280-B1 AZOLYL-SUBSTITUTED OXIMINO-CYANO-ACETAMIDE DERIVATIVES BAYER AG (DE) 1985-08-28 EP disclosed
EP-0097280-A2 Azolyl-substituted oximino-cyano-acetamide derivatives BAYER AG (DE) 1984-01-04 EP 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 (1 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-20030216417-A1 Substituted anilino-quinoline compounds and use thereof IL6, IL6ST, IL1A MMP2 1215/4885MMP9 1381/4885MMP8 1346/4885

“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.