SCHEMBL2037629

SCHEMBL2037629

COC(=O)c1ccc2sc(Sc3ccc([N+](=O)[O-])cc3Cl)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.45
▸ PDE7A Q13946 6/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE7B Q9NP56 1/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL2035697 0.88 SCD (0.44) SCDPPARACYP1A2CYP3A4CYP2D6
SCHEMBL2031373 0.88 PDE7A (0.47) PDE7APDE4BPDE4DPDE7BPPARA
SCHEMBL2033513 0.84 MAPT (0.46) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24118868 0.79 KMT2A (0.57) PDE7APDE4BPDE4DPDE7BCYP3A4
SCHEMBL2034191 0.78 PDE7A (0.46) PDE7APDE4BPDE4DPDE7BPPARA
SCHEMBL2029297 0.78 PDE7A (0.46) PDE7APDE4BPDE4DPDE7BPDK1
SCHEMBL2033025 0.76 SMN1; SMN2 (0.47) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2030964 0.75 MAPT (0.46) SCDPPARACYP1A2CYP3A4PDK1
SCHEMBL2031377 0.75 MAPT (0.47) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2029486 0.75 GAA (0.51) PPARACYP1A2CYP3A4CYP2D6CYP2C9

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 SCD 205/4885PDE7A 1599/4885PDE4B 1062/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD SCD 205/4885PDE7A 1599/4885PDE4B 1062/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD SCD 92/4885PDE7A 558/4885PDE4B 499/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD SCD 85/4885PDE7A 634/4885PDE4B 587/4885
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 SCD 263/4885PDE7A 2002/4885PDE4B 1554/4885

“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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