SCHEMBL2000894

SCHEMBL2000894

O=[N+]([O-])c1ccc2nc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3Cl)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.44
PPARG P37231 7/20 0.44
CYP3A4 P08684 3/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
SGK1 O00141 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA2 P00918 1/20 0.37
CA5A P35218 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
SCHEMBL2003674 0.90 PPARG (0.53) FSCN1PPARGCYP3A4MEN1KMT2A
SCHEMBL1995673 0.90 FSCN1 (0.45) FSCN1PPARGCYP3A4MEN1KMT2A
SCHEMBL2008165 0.88 PPARG (0.46) PPARGCYP3A4MEN1KMT2AALDH1A1
SCHEMBL2001828 0.87 PPARG (0.45) PPARGCYP3A4MEN1KMT2AMAPT
SCHEMBL2001357 0.87 PPARG (0.48) PPARGCYP3A4MEN1KMT2AALDH1A1
SCHEMBL1994977 0.84 PPARG (0.53) FSCN1PPARGCYP3A4MEN1KMT2A
SCHEMBL2000439 0.80 PPARG (0.51) PPARGCYP3A4MEN1KMT2AMAPT
SCHEMBL2004988 0.80 PPARG (0.47) PPARGCYP3A4MEN1KMT2AALDH1A1
SCHEMBL2000098 0.78 PPARG (0.56) PPARGCYP3A4MEN1KMT2AALDH1A1
SCHEMBL2000864 0.78 PPARG (0.56) PPARGCYP3A4SGK1

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 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.