SCHEMBL2033632

SCHEMBL2033632

O=S(=O)(Nc1cc(Cl)c(Sc2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.45
CYP3A4 P08684 4/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
MCL1 Q07820 1/20 0.41
P2RX1 P51575 1/20 0.41
CTSD P07339 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
SGK1 O00141 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
CCNA1 P78396 1/20 0.39

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
SCHEMBL2036572 0.95 CYP3A4 (0.49) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL2034408 0.91 PPARG (0.46) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL2030411 0.89 MAPT (0.51) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL2037674 0.87 PPARG (0.44) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL2033340 0.87 CYP3A4 (0.44) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL2030448 0.86 PPARG (0.45) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL12670142 0.85 MCL1 (0.51) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL2742720 0.85 MAPT (0.51) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL2036273 0.84 MAPT (0.47) PPARGCYP3A4GAAMAPTPOLB
SCHEMBL12670834 0.84 ALDH1A1 (0.46) PPARGCYP3A4GAAMAPTPPARD

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 12 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-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 (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-20050250820-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 1649/4885GAA 1364/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 1649/4885GAA 1364/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 1153/4885GAA 385/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 1165/4885GAA 402/4885

“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.