SCHEMBL1997774

SCHEMBL1997774

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CCND1 P24385 1/20 0.54
CDK2 P24941 1/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
CCNA1 P78396 1/20 0.54
CDK6 Q00534 1/20 0.54
CYP3A4 P08684 1/20 0.53
PPARG P37231 1/20 0.53
P2RX1 P51575 1/20 0.53
MCL1 Q07820 6/20 0.51
ACLY P53396 3/20 0.49
CCKBR P32239 1/20 0.47
SGK1 O00141 1/20 0.46
IDH1 O75874 1/20 0.46
AVPR2 P30518 1/20 0.45
GPR27 Q9NS67 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45

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
SCHEMBL1999031 0.86 CDK1 (0.55) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL2003189 0.86 CDK1 (0.54) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL1767738 0.79 CA1 (0.53) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL15480546 0.79 HDAC8 (0.54) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL14403176 0.78 CDK1 (0.66) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL20256179 0.77 MCL1 (0.52) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL5229179 0.77 BRD4 (0.56) P2RX1MCL1ACLYIDH1AVPR2
SCHEMBL13407614 0.76 MCL1 (0.51) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL21800169 0.76 MCL1 (0.51) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL13615251 0.76 CDK1 (0.52) CDK1CCNB1CCNA2CCND1CDK2

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 16 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-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
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-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 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
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 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 CDK1 2903/4885CCNB1 3860/4885CCNA2 3793/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD CDK1 2903/4885CCNB1 3860/4885CCNA2 3793/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD CDK1 2903/4885CCNB1 3860/4885CCNA2 3793/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD CDK1 2847/4885CCNB1 3772/4885CCNA2 3720/4885

“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.