SCHEMBL4824100

SCHEMBL4824100

CC(C)(C)OC(=O)N[C@H](CS(=O)(=O)Cc1ccc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.45
NTSR1 P30989 6/20 0.45
LTA4H P09960 1/20 0.43
BCL2 P10415 1/20 0.42
PPARA Q07869 3/20 0.41
PPARD Q03181 2/20 0.41
HDAC8 Q9BY41 2/20 0.40
YAP1 P46937 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ADAMTS4 O75173 1/20 0.40
SIRT2 Q8IXJ6 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
SCHEMBL4819840 0.88 NTSR1 (0.48) NTSR1PPARAPPARDHDAC8
SCHEMBL3872672 0.87 PPARA (0.54) PTPN1NTSR1LTA4HPPARAPPARD
SCHEMBL4467917 0.76 PPARD (0.55) NTSR1LTA4HPPARAPPARD
SCHEMBL6630571 0.75 PPARA (0.57) PPARAPPARD
SCHEMBL6630572 0.75 PPARA (0.57) PPARAPPARD
SCHEMBL5762625 0.75 GAA (0.54) NTSR1LTA4HPPARAPPARD
SCHEMBL20238807 0.74 LTA4H (0.68) PTPN1LTA4HPPARAHDAC8
SCHEMBL3866470 0.73 PPARA (0.61) NTSR1PPARAPPARD
SCHEMBL13897462 0.72 PPARG (0.52) NTSR1PPARAPPARD
SCHEMBL3863932 0.72 PPARG (0.52) NTSR1PPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
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 PTPN1 16/4885NTSR1 1536/4885LTA4H 3023/4885

“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.