SCHEMBL4819840

SCHEMBL4819840

CC(C)(C)OC(=O)N[C@H](CS(=O)(=O)Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 6/20 0.48
MGLL Q99685 1/20 0.42
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ACE P12821 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 2/20 0.40
HDAC8 Q9BY41 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
SCHEMBL4824100 0.88 PTPN1 (0.45) NTSR1PPARAPPARDHDAC8
SCHEMBL3866470 0.84 PPARA (0.61) NTSR1MGLLPPARAPPARGPPARD
SCHEMBL6630572 0.79 PPARA (0.57) PPARAPPARGACEMEN1ALDH1A1
SCHEMBL6630571 0.79 PPARA (0.57) PPARAPPARGACEMEN1ALDH1A1
SCHEMBL3864929 0.79 PPARG (0.50) NTSR1MGLLPPARAPPARGPPARD
SCHEMBL3863932 0.73 PPARG (0.52) NTSR1PPARAPPARGACEKMT2A
SCHEMBL13897462 0.73 PPARG (0.52) NTSR1PPARAPPARGACEKMT2A
SCHEMBL5801933 0.73 PPARG (0.52) NTSR1PPARAPPARGACEKMT2A
SCHEMBL3872672 0.73 PPARA (0.54) NTSR1PPARAPPARGPPARD
SCHEMBL3867975 0.72 NTSR1 (0.42) NTSR1ACE

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 5 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-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 NTSR1 1536/4885MGLL 2913/4885PPARA 406/4885

“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.