SCHEMBL1997437

SCHEMBL1997437

COc1cccc2sc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46
CYP3A4 P08684 1/20 0.46
ALPL P05186 2/20 0.43
SGK1 O00141 1/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
XBP1 P17861 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PGR P06401 2/20 0.41
NR3C1 P04150 1/20 0.41
AR P10275 1/20 0.41
ESR2 Q92731 1/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 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
SCHEMBL1996552 0.92 PPARG (0.46) PPARGCYP3A4ALPLSGK1LMNA
SCHEMBL2004274 0.90 PPARG (0.53) PPARGCYP3A4ALPLSGK1LMNA
SCHEMBL1998653 0.83 PPARG (0.47) PPARGCYP3A4SGK1LMNAMEN1
SCHEMBL1998908 0.83 PPARG (0.49) PPARGCYP3A4SGK1LMNAMEN1
SCHEMBL1997017 0.82 PPARG (0.47) PPARGCYP3A4SGK1LMNAHTT
SCHEMBL2000439 0.82 PPARG (0.51) PPARGCYP3A4SGK1LMNAMEN1
SCHEMBL2004988 0.82 PPARG (0.47) PPARGCYP3A4ALPLSGK1LMNA
SCHEMBL1997055 0.81 PPARG (0.46) PPARGCYP3A4SGK1LMNAMEN1
SCHEMBL1998434 0.81 PPARG (0.49) PPARGCYP3A4ALPL
SCHEMBL2000734 0.80 PPARG (0.57) PPARGCYP3A4SGK1LMNACDK1

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 675/4885ALPL 2463/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885ALPL 2463/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885ALPL 2463/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 772/4885ALPL 2416/4885

“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.