SCHEMBL12584929

SCHEMBL12584929

Nc1ccc(Sc2nc3cccc(Cl)c3s2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.45
▸ HSP90AA1 P07900 13/20 0.45
▸ HSP90AB1 P08238 13/20 0.45
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ITGB2 P05107 2/20 0.44
▸ ICAM1 P05362 2/20 0.44
▸ ITGAL P20701 2/20 0.44
▸ PSMB8 P28062 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL12584942 0.83 HSP90AA1 (0.47) HSP90AA1HSP90AB1PSMB8ALOX5
SCHEMBL30895880 0.82 CTSD (0.52) PDE7AMAPTTSHRKMT2AITGB2
SCHEMBL19840432 0.82 CTSD (0.52) PDE7AMAPTTSHRKMT2AITGB2
SCHEMBL12584930 0.79 PDE7A (0.52) PDE7AMAPTKMT2AALOX5ALDH1A1
SCHEMBL2031038 0.71 APP (0.52) PDE7AMAPTKMT2AITGB2ICAM1
SCHEMBL2032205 0.71 PPARA (0.46) PDE7AMAPTTSHRKMT2AITGB2
SCHEMBL2035992 0.71 ILK (0.42) PDE7AHSP90AA1MAPTTSHRKMT2A
SCHEMBL7187676 0.70 ITGB2 (0.80) PDE7AMAPTTSHRKMT2AITGB2
SCHEMBL9676001 0.69 PSMB8 (0.56) HSP90AA1HSP90AB1MAPTPSMB8ALOX5
SCHEMBL21794477 0.68 APP (0.57) MAPTKMT2APSMB8ALDH1A1

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 6 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-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-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-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 — — 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 (1 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-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD PDE7A 634/4885HSP90AA1 401/4885HSP90AB1 357/4885

“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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