SCHEMBL2033033

SCHEMBL2033033

Cc1ccc(Sc2c(Cl)cc(N)cc2Cl)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
ALDH1A1 P00352 4/20 0.42
PDE7A Q13946 2/20 0.41
PLA2G7 Q13093 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYMS P04818 4/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
CYP1A2 P05177 2/20 0.33
HTR1A P08908 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
HTR3A P46098 2/20 0.33

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
SCHEMBL11464659 0.81 PDE7A (0.47) CYP3A4ALDH1A1PDE7AMAPTHPGD
SCHEMBL11463512 0.78 PDE7A (0.47) CYP3A4ALDH1A1PDE7AMAPTHPGD
SCHEMBL6068604 0.77 PDE7A (0.50) CYP3A4ALDH1A1PDE7AMAPTHPGD
SCHEMBL2036320 0.76 ALDH1A1 (0.50) CYP3A4ALDH1A1PDE7AMAPTHPGD
SCHEMBL2030254 0.75 LMNA (0.53) CYP3A4ALDH1A1PDE7AMAPTKMT2A
SCHEMBL11455389 0.75 CYP3A4 (0.61) CYP3A4ALDH1A1PDE7AMAPTHPGD
SCHEMBL15903377 0.74 TDP1 (0.45) CYP3A4ALDH1A1PDE7AMAPTSMN1; SMN2
SCHEMBL30832958 0.73 ALDH1A1 (0.50) CYP3A4ALDH1A1MAPTHPGDOPRM1
SCHEMBL47860 0.73 ALDH1A1 (0.50) CYP3A4ALDH1A1MAPTHPGDOPRM1
SCHEMBL15902849 0.73 PDE7A (0.46) CYP3A4ALDH1A1PDE7AMAPTHPGD

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 14 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
US-4198407-A Substituted 2-phenyl-1,2,4-triazine-3,5(2H,4H)-diones, and coccidiostatic agents containing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 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 (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 CYP3A4 1649/4885ALDH1A1 1672/4885PDE7A 1599/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD CYP3A4 1649/4885ALDH1A1 1672/4885PDE7A 1599/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD CYP3A4 1153/4885ALDH1A1 1831/4885PDE7A 558/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD CYP3A4 1165/4885ALDH1A1 1739/4885PDE7A 634/4885
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 CYP3A4 167/4885ALDH1A1 1482/4885PDE7A 2002/4885

“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.