SCHEMBL1996459

SCHEMBL1996459

O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc(Cl)c(Oc2nc3ccc(Cl)cc3s2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.47
PPARG P37231 8/20 0.46
CYP3A4 P08684 6/20 0.46
TYMS P04818 1/20 0.45
NFKBIA P25963 2/20 0.43
RELA Q04206 2/20 0.43
SLC40A1 Q9NP59 1/20 0.43
PARP14 Q460N5 1/20 0.42
MMP2 P08253 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MCL1 Q07820 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL1998785 0.89 PPARG (0.57) PPARGCYP3A4MCL1
SCHEMBL13678547 0.89 FSCN1 (0.45) FSCN1PPARGCYP3A4MEN1KMT2A
SCHEMBL2003674 0.86 PPARG (0.53) FSCN1PPARGCYP3A4MEN1KMT2A
SCHEMBL2000864 0.82 PPARG (0.56) PPARGCYP3A4
SCHEMBL2000742 0.81 PPARG (0.58) PPARGCYP3A4
SCHEMBL1994977 0.81 PPARG (0.53) FSCN1PPARGCYP3A4TYMSMEN1
SCHEMBL2000451 0.81 PPARG (0.54) PPARGCYP3A4MEN1KMT2ANPC1
SCHEMBL2000098 0.79 PPARG (0.56) PPARGCYP3A4MEN1KMT2AKDR
SCHEMBL2004408 0.79 PPARG (0.56) PPARGCYP3A4NPC1
SCHEMBL1999074 0.79 PPARG (0.56) PPARGCYP3A4KDR

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 14 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-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 FSCN1 4835/4885PPARG 2/4885CYP3A4 675/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD FSCN1 4835/4885PPARG 2/4885CYP3A4 675/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD FSCN1 4835/4885PPARG 2/4885CYP3A4 675/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD FSCN1 4826/4885PPARG 1/4885CYP3A4 772/4885

“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.