SCHEMBL2004408

SCHEMBL2004408

O=S(=O)(Nc1cc(Cl)c(Oc2nc3ccc(OC(F)(F)F)cc3s2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.56
CYP3A4 P08684 7/20 0.56
RORC P51449 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
SLC6A2 P23975 1/20 0.39
SCN4A P35499 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL1999074 0.91 PPARG (0.56) PPARGCYP3A4LMNACSNK1D
SCHEMBL2000484 0.91 PPARG (0.54) PPARGCYP3A4RORCCSNK1D
SCHEMBL1998785 0.89 PPARG (0.57) PPARGCYP3A4GAA
SCHEMBL2000864 0.88 PPARG (0.56) PPARGCYP3A4SCN4A
SCHEMBL2000098 0.86 PPARG (0.56) PPARGCYP3A4LMNAHSD17B10
SCHEMBL2000451 0.86 PPARG (0.54) PPARGCYP3A4NPC1RAB9ALMNA
SCHEMBL2004571 0.86 RORC (0.43) PPARGCYP3A4RORCNPC1RAB9A
SCHEMBL2002034 0.85 PPARG (0.53) PPARGCYP3A4GAASMN1; SMN2DYRK1A
SCHEMBL2003674 0.85 PPARG (0.53) PPARGCYP3A4NPC1RAB9ALMNA
SCHEMBL2000439 0.85 PPARG (0.51) PPARGCYP3A4RORCLMNAGAA

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 675/4885RORC 42/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885RORC 42/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885RORC 42/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 772/4885RORC 35/4885

“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.