SCHEMBL1996930

SCHEMBL1996930

O=S(=O)(Nc1ccc(Cc2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.51
SGK1 O00141 1/20 0.45
PPARG P37231 2/20 0.45
CYP3A4 P08684 1/20 0.45
AKR1B1 P15121 6/20 0.44
AKR1A1 P14550 4/20 0.44
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
CCNA1 P78396 1/20 0.42
CDK6 Q00534 1/20 0.42
AGPAT2 O15120 3/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL2004113 0.95 TRPV1 (0.48) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL1998293 0.95 TRPV1 (0.48) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL1998510 0.94 TRPV1 (0.47) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL1996556 0.93 PPARG (0.50) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL2001870 0.89 TRPV1 (0.50) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL1998122 0.84 TRPV1 (0.48) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL1996983 0.84 TRPV1 (0.48) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL1999303 0.83 TRPV1 (0.46) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL2000904 0.81 CYP3A4 (0.54) TRPV1SGK1PPARGCYP3A4AKR1B1
SCHEMBL1999131 0.81 TRPV1 (0.46) TRPV1SGK1PPARGCYP3A4AKR1B1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 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
US-20060264481-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2006-11-23 US disclosed
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 EP disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 US disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 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
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 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 (7 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-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD TRPV1 2002/4885SGK1 2310/4885PPARG 1/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD TRPV1 1803/4885SGK1 3668/4885PPARG 1/4885
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD TRPV1 1349/4885SGK1 4587/4885PPARG 2/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD TRPV1 1898/4885SGK1 3370/4885PPARG 1/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD TRPV1 1349/4885SGK1 4587/4885PPARG 2/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD TRPV1 1349/4885SGK1 4587/4885PPARG 2/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD TRPV1 1412/4885SGK1 4091/4885PPARG 1/4885

“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.