SCHEMBL2030702

SCHEMBL2030702

Nc1cc(Cl)c(Sc2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ILK Q13418 2/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ SCN4A P35499 1/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ AGPAT2 O15120 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PPARA Q07869 5/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CTSD P07339 1/20 0.36
▸ MPL P40238 2/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL7576875 0.87 ALOX5 (0.41) ILKALOX5EPHX2SCN4ADYRK1A
SCHEMBL2031349 0.87 DYRK1A (0.46) ILKALOX5DYRK1AAGPAT2PPARA
SCHEMBL2035992 0.85 ILK (0.42) ILKALOX5EPHX2SCN4ADYRK1A
SCHEMBL2029235 0.82 ALOX5 (0.44) ALOX5DYRK1AAGPAT2SMN1; SMN2NPSR1
SCHEMBL2032001 0.78 PPARA (0.48) ALOX5SMN1; SMN2NPSR1PPARACTSD
SCHEMBL2036572 0.78 CYP3A4 (0.49) ALOX5DYRK1AAGPAT2NPSR1PPARA
SCHEMBL17153983 0.76 ALOX5 (0.52) ILKALOX5EPHX2SCN4ADYRK1A
SCHEMBL2033632 0.75 PPARG (0.45) ALOX5NPSR1PPARACTSDMEN1
SCHEMBL2000138 0.75 AKR1B1 (0.46) ILKEPHX2SCN4ADYRK1A
SCHEMBL12584982 0.75 MAPT (0.45) ALOX5DYRK1ASMN1; SMN2NPSR1PPARA

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 13 patents. 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-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-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
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 — — US disclosed
US-20050250820-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2005-11-10 — — US disclosed
WO-2005086904-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY AMGEN INC. (US) 2005-09-22 — — WO disclosed
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine TULARIK INC. 2004-12-09 — — US disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 — — US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 — — US disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 — — EP 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 (5 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-20050250820-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD ILK 4738/4885ALOX5 339/4885EPHX2 3339/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD ILK 4738/4885ALOX5 339/4885EPHX2 3339/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD ILK 4870/4885ALOX5 643/4885EPHX2 2693/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD ILK 4857/4885ALOX5 609/4885EPHX2 2670/4885
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine PPARD, PPARG, PPARA ILK 4786/4885ALOX5 764/4885EPHX2 2283/4885

“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.

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