SCHEMBL2003335

SCHEMBL2003335

COc1ccc2nc(Oc3cc(Cl)cc(NS(=O)(=O)c4cc(C)c(Cl)cc4Cl)c3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
FBP1 P09467 1/20 0.40
CTSD P07339 2/20 0.40
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 6/20 0.37
LMNA P02545 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL2001848 0.91 RORC (0.42) CTSDHPGDCYP3A4PPARGMEN1
SCHEMBL2005000 0.90 FSCN1 (0.44) CTSDHPGDCYP3A4PPARGMEN1
SCHEMBL2000672 0.89 PPARG (0.47) TP53FBP1CTSDCYP3A4PPARG
SCHEMBL2004626 0.86 LMNA (0.41) TP53CYP3A4PPARGMEN1KMT2A
SCHEMBL2003082 0.84 PPARG (0.47) TP53CTSDCYP3A4PPARGMAPT
SCHEMBL2000558 0.83 TP53 (0.41) TP53CYP3A4PPARGMEN1KMT2A
SCHEMBL2006350 0.82 LMNA (0.42) TP53CYP3A4PPARGMEN1KMT2A
SCHEMBL2003942 0.82 PPARG (0.40) TP53FBP1CYP3A4PPARGMEN1
SCHEMBL1999994 0.82 FBP1 (0.41) TP53FBP1CYP3A4PPARGMEN1
SCHEMBL2002150 0.82 PPARG (0.39) TP53CYP3A4PPARGMAPTLMNA

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 8 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
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US 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 TP53 990/4885FBP1 2161/4885CTSD 3410/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD TP53 990/4885FBP1 2161/4885CTSD 3410/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD TP53 990/4885FBP1 2161/4885CTSD 3410/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD TP53 877/4885FBP1 2197/4885CTSD 3188/4885

“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.