Sugi Predict

Sugi Predict / Compounds / SCHEMBL3862977

SCHEMBL3862977

SCHEMBL3862977

CC(C)(C)OC(=O)[C@H](CSCc1cccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 1/20 0.45
▸ ALOX5 P09917 1/20 0.39
▸ PPARA Q07869 4/20 0.38
▸ PPARG P37231 3/20 0.38
▸ ICMT O60725 1/20 0.37
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ C3AR1 Q16581 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ ANO1 Q5XXA6 2/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ PRKDC P78527 1/20 0.33

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
SCHEMBL3863946 0.93 PPARA (0.40) GGPS1ALOX5PPARAPPARGICMT
SCHEMBL3862090 0.93 PPARA (0.40) GGPS1ALOX5PPARAPPARGICMT
SCHEMBL3874668 0.87 ALOX5 (0.39) GGPS1ALOX5PPARAPPARGICMT
SCHEMBL3866908 0.87 PPARA (0.55) GGPS1PPARAPPARGICMTCTSB
SCHEMBL3869773 0.87 ALOX5 (0.37) GGPS1ALOX5ICMTMMP12MMP13
SCHEMBL13897395 0.87 PPARA (0.55) GGPS1PPARAPPARGICMTCTSB
SCHEMBL3866899 0.83 PPARA (0.56) GGPS1PPARAPPARGICMTCTSB
SCHEMBL4817129 0.81 PPARA (0.61) PPARAPPARGICMTCTSSCTSK
SCHEMBL3863447 0.81 PPARA (0.61) PPARAPPARGICMTCTSSCTSK
SCHEMBL13897522 0.80 PPARA (0.58) GGPS1PPARAPPARGICMTCTSB

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
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 — — US claimed
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 GGPS1 2741/4885ALOX5 1550/4885PPARA 314/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO GGPS1 2583/4885ALOX5 1758/4885PPARA 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.