Sugi Predict

Sugi Predict / Compounds / SCHEMBL3863085

SCHEMBL3863085

SCHEMBL3863085

CCC=C(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CTSK P43235 10/20 0.34
▸ CTSS P25774 4/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ APLNR P35414 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL24298555 0.86 CA12 (0.35) CA12CA14CA1CA7CA2
SCHEMBL26838901 0.86 CA12 (0.35) CA12CA14CA1CA7CA2
SCHEMBL3447209 0.86 CA1 (0.37) CA12CA14CA1CA7CA2
SCHEMBL3447206 0.86 CA1 (0.37) CA12CA14CA1CA7CA2
SCHEMBL15525384 0.84 MEN1 (0.37) CA12CA14CA1CA7CA2
SCHEMBL19519894 0.83 CTSK (0.33) CA12CA14CA1CA7CA2
SCHEMBL29601090 0.83 CA2 (0.33) CA12CA14CA1CA7CA2
SCHEMBL24323964 0.83 CA2 (0.33) CA12CA14CA1CA7CA2
SCHEMBL5787436 0.82 DGAT1 (0.38) CA12CA14CA1CA7CA2
SCHEMBL5787433 0.82 DGAT1 (0.38) CA12CA14CA1CA7CA2

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 8 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
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 disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 — — US disclosed
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 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 CA12 3879/4885CA14 3908/4885CA1 2617/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO CA12 3876/4885CA14 3839/4885CA1 2350/4885

“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.