SCHEMBL4823530

SCHEMBL4823530

O=C(N[C@@H](CSCc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.67
PPARG P37231 6/20 0.61
ACE P12821 2/20 0.46
PPARD Q03181 2/20 0.44
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 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
SCHEMBL4824419 0.90 PPARA (0.52) PPARAPPARGACEPPARD
SCHEMBL4818651 0.89 PPARA (0.52) PPARAPPARGACEPPARDITGB3
SCHEMBL4825787 0.87 PPARA (0.63) PPARAPPARGACEPPARD
SCHEMBL4824686 0.86 ACE (0.48) PPARAPPARGACE
SCHEMBL4822391 0.83 ACE (0.49) PPARAPPARGACEPPARD
SCHEMBL27533323 0.81 PPARA (0.84) PPARAPPARGACEPPARDHDAC3
SCHEMBL1285732 0.81 PPARA (0.84) PPARAPPARGACEPPARDHDAC3
SCHEMBL4816476 0.80 CTSS (0.43) PPARAPPARGACE
SCHEMBL10661222 0.79 PPARA (0.80) PPARAPPARGACEPPARDHDAC3
SCHEMBL10661216 0.79 PPARA (0.80) PPARAPPARGACEPPARDHDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 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-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO PPARA 406/4885PPARG 448/4885ACE 1006/4885

“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.