SCHEMBL2001996

SCHEMBL2001996

Nc1ccc(Cc2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 11/20 0.52
AKR1A1 P14550 4/20 0.52
ILK Q13418 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
DYRK1A Q13627 1/20 0.39
AGPAT2 O15120 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2000138 0.85 AKR1B1 (0.46) AKR1B1AKR1A1ILKLOXL2EPHX2
SCHEMBL2002329 0.84 LOXL2 (0.58) AKR1B1AKR1A1LOXL2TRPV1ALDH1A1
SCHEMBL1996987 0.81 MAPT (0.49) AKR1B1AKR1A1LOXL2TRPV1DYRK1A
SCHEMBL1996820 0.81 AKR1B1 (0.48) AKR1B1AKR1A1TRPV1DYRK1AALDH1A1
SCHEMBL1999968 0.80 MAPT (0.52) EPHX2ALDH1A1
SCHEMBL27562343 0.79 AKR1B1 (0.45) AKR1B1AKR1A1ILKLOXL2EPHX2
SCHEMBL27557191 0.77 ILK (0.59) AKR1B1AKR1A1ILKEPHX2SCN4A
SCHEMBL1996930 0.76 TRPV1 (0.51) AKR1B1AKR1A1EPHX2TRPV1AGPAT2
SCHEMBL4900594 0.75 ILK (0.47) AKR1B1AKR1A1ILKLOXL2EPHX2
SCHEMBL27490187 0.75 AKR1B1 (0.47) AKR1B1AKR1A1TRPV1

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 25 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-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
CN-1438998-A Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2003-08-27 CN 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 (6 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 AKR1B1 666/4885AKR1A1 656/4885ILK 4738/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD AKR1B1 1571/4885AKR1A1 1940/4885ILK 4870/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD AKR1B1 1544/4885AKR1A1 1915/4885ILK 4857/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD AKR1B1 2202/4885AKR1A1 2695/4885ILK 4881/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD AKR1B1 2202/4885AKR1A1 2695/4885ILK 4881/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD AKR1B1 2314/4885AKR1A1 2823/4885ILK 4879/4885

“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.