SCHEMBL4650290

SCHEMBL4650290

COC(=O)c1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.50
TACR1 P25103 2/20 0.49
PPARA Q07869 2/20 0.49
ACE P12821 1/20 0.48
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
CTSB P07858 3/20 0.48
CTSL P07711 1/20 0.47
TYR P14679 1/20 0.47
PPARG P37231 1/20 0.45
PTPN1 P18031 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45

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
SCHEMBL7673164 0.95 CTSS (0.51) KLK5TACR1ACECTSSCTSK
SCHEMBL7678618 0.92 TACR1 (0.50) KLK5TACR1PPARAACECTSS
SCHEMBL6572493 0.89 PPARA (0.54) KLK5TACR1PPARAACECTSS
SCHEMBL9888267 0.89 PPARA (0.54) KLK5TACR1PPARAACECTSS
SCHEMBL5375331 0.87 TACR1 (0.53) KLK5TACR1PPARAACECTSS
SCHEMBL27406840 0.87 TACR1 (0.54) KLK5TACR1PPARAACECTSS
SCHEMBL7047080 0.86 PPARA (0.51) KLK5TACR1PPARAACECTSS
SCHEMBL4650885 0.86 PPARA (0.51) KLK5TACR1PPARAACECTSS
SCHEMBL7164557 0.86 PPARA (0.51) KLK5TACR1PPARAACECTSS
SCHEMBL4650261 0.85 PTPN1 (0.51) KLK5TACR1PPARAACECTSS

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-1301474-B1 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2008-09-10 EP disclosed
US-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US disclosed
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP disclosed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US disclosed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 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 (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-20020040003-A1 Preparation of phosphatase inhibitors PTPRS, PTPRO, PTPRR KLK5 2940/4885TACR1 581/4885PPARA 2172/4885

“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.