Sugi Predict

Sugi Predict / Compounds / SCHEMBL3867975

SCHEMBL3867975

SCHEMBL3867975

CC(C)(C)OC(=O)N[C@@H](C[S+]([O-])Cc1ccc(NC(=O)Cn2ccc3cc(F)ccc32)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 10/20 0.42
▸ PABPC1 P11940 1/20 0.40
▸ RORC P51449 1/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ KCNQ4 P56696 1/20 0.37
▸ KCNQ5 Q9NR82 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ITGB5 P18084 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ACE P12821 1/20 0.36

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
SCHEMBL13897462 0.85 PPARG (0.52) NTSR1PABPC1ACE
SCHEMBL3863932 0.85 PPARG (0.52) NTSR1PABPC1ACE
SCHEMBL5801933 0.85 PPARG (0.52) NTSR1PABPC1ACE
SCHEMBL3866470 0.73 PPARA (0.61) NTSR1
SCHEMBL3872672 0.72 PPARA (0.54) NTSR1PTPN1
SCHEMBL4819840 0.72 NTSR1 (0.48) NTSR1ACE
SCHEMBL4824100 0.71 PTPN1 (0.45) NTSR1PTPN1
SCHEMBL4824912 0.71 CTSS (0.42) CTSSCTSKPTPN1ACE
SCHEMBL3864929 0.67 PPARG (0.50) NTSR1
SCHEMBL479232 0.65 CTSS (0.72) CTSSCTSKITGB3ITGA2BPTPN1

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-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 — — US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 — — US disclosed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 — — EP disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 — — US disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 — — WO 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 (2 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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ NTSR1 1638/4885PABPC1 1412/4885RORC 2231/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO NTSR1 1536/4885PABPC1 1000/4885RORC 2872/4885

“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.