SCHEMBL1997407

SCHEMBL1997407

O=S(=O)(Nc1cc(Cl)c(Cc2nc3cccc(Cl)c3s2)c(Cl)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.47
CYP3A4 P08684 7/20 0.47
ITGA1 P56199 4/20 0.42
SLC40A1 Q9NP59 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP1 Q9C000 1/20 0.42
HSD11B1 P28845 1/20 0.41
ALPL P05186 1/20 0.40

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
SCHEMBL1996773 0.88 PPARG (0.51) PPARGCYP3A4MEN1LMNAKMT2A
SCHEMBL1998373 0.87 PPARG (0.50) PPARGCYP3A4ITGA1MEN1LMNA
SCHEMBL2002925 0.84 PPARG (0.46) PPARGCYP3A4ITGA1MEN1LMNA
SCHEMBL2005450 0.84 LOXL2 (0.45) PPARGCYP3A4ITGA1MEN1LMNA
SCHEMBL1998509 0.82 PPARG (0.46) PPARGCYP3A4SLC40A1MEN1LMNA
SCHEMBL1996983 0.78 TRPV1 (0.48) PPARGCYP3A4MAPTHSD11B1
SCHEMBL1998786 0.76 PPARG (0.54) PPARGCYP3A4ITGA1SLC40A1MEN1
SCHEMBL2005058 0.76 PPARG (0.47) PPARGCYP3A4MAPTHSD11B1
SCHEMBL1998122 0.76 TRPV1 (0.48) PPARGCYP3A4MAPTHSD11B1
SCHEMBL2000904 0.75 CYP3A4 (0.54) PPARGCYP3A4LMNAALPL

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 PPARG 2/4885CYP3A4 675/4885ITGA1 4820/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885ITGA1 4820/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885ITGA1 4820/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 772/4885ITGA1 4794/4885

“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.