SCHEMBL1994977

SCHEMBL1994977

O=[N+]([O-])c1ccc2sc(Oc3c(Cl)cc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3Cl)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.53
CYP3A4 P08684 6/20 0.53
SGK1 O00141 1/20 0.40
FSCN1 Q16658 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
TYMS P04818 1/20 0.37
HSD11B1 P28845 1/20 0.36
ACP1 P24666 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK6 Q00534 1/20 0.36

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
SCHEMBL2003674 0.93 PPARG (0.53) PPARGCYP3A4SGK1FSCN1MEN1
SCHEMBL1999305 0.86 PPARG (0.54) PPARGCYP3A4SGK1TRPV1CDK1
SCHEMBL2006489 0.86 PPARG (0.56) PPARGCYP3A4SGK1TRPV1CDK1
SCHEMBL2000072 0.85 PPARG (0.56) PPARGCYP3A4SGK1TRPV1CDK1
SCHEMBL2000894 0.84 FSCN1 (0.44) PPARGCYP3A4SGK1FSCN1MEN1
SCHEMBL1995673 0.83 FSCN1 (0.45) PPARGCYP3A4SGK1FSCN1MEN1
SCHEMBL2000864 0.83 PPARG (0.56) PPARGCYP3A4SGK1CDK1CCNB1
SCHEMBL1998785 0.83 PPARG (0.57) PPARGCYP3A4
SCHEMBL2000451 0.81 PPARG (0.54) PPARGCYP3A4MEN1KMT2A
SCHEMBL1996459 0.81 FSCN1 (0.47) PPARGCYP3A4FSCN1TYMSMEN1

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 675/4885SGK1 4587/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885SGK1 4587/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885SGK1 4587/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 772/4885SGK1 4091/4885

“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.