SCHEMBL2000734

SCHEMBL2000734

O=S(=O)(Nc1cc(Cl)c(Oc2nc3c(Cl)cccc3s2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.57
CYP3A4 P08684 7/20 0.57
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
CCNA1 P78396 1/20 0.43
CDK6 Q00534 1/20 0.43
MCL1 Q07820 2/20 0.41
SGK1 O00141 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 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
SCHEMBL1999299 0.92 PPARG (0.55) PPARGCYP3A4CDK1CCNB1CCNA2
SCHEMBL2004274 0.90 PPARG (0.53) PPARGCYP3A4CDK1CCNB1CCNA2
SCHEMBL2004988 0.89 PPARG (0.47) PPARGCYP3A4CDK1CCNB1CCNA2
SCHEMBL1998908 0.88 PPARG (0.49) PPARGCYP3A4CDK1CCNB1CCNA2
SCHEMBL2001475 0.88 PPARG (0.54) PPARGCYP3A4LMNA
SCHEMBL1998785 0.83 PPARG (0.57) PPARGCYP3A4MCL1GAA
SCHEMBL2003181 0.82 MEN1 (0.41) PPARGCYP3A4LMNA
SCHEMBL2000864 0.82 PPARG (0.56) PPARGCYP3A4CDK1CCNB1CCNA2
SCHEMBL2006489 0.82 PPARG (0.56) PPARGCYP3A4CDK1CCNB1CCNA2
SCHEMBL1997055 0.81 PPARG (0.46) PPARGCYP3A4CDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885CDK1 2903/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885CDK1 2903/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885CDK1 2903/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 772/4885CDK1 2847/4885

“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.