SCHEMBL4650405

SCHEMBL4650405

COC(=O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(OC)cc2)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.53
CTSS P25774 7/20 0.46
CTSK P43235 6/20 0.46
CTSB P07858 2/20 0.46
PTPN22 Q9Y2R2 3/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB9 P28065 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB10 P40306 1/20 0.42
PSMB2 P49721 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL7117053 0.97 PTPN1 (0.52) PTPN1CTSSCTSKCTSBPTPN22
SCHEMBL4650306 0.84 PTPN1 (0.51) PTPN1CTSSCTSKCTSBPTPN22
SCHEMBL7674539 0.83 PTPN1 (0.74) PTPN1CTSSCTSKCTSBPTPN22
SCHEMBL7674386 0.82 PTPN1 (0.61) PTPN1CTSSCTSKCTSBPTPN22
SCHEMBL4650315 0.82 PPARD (0.46) ALDH1A1LMNA
SCHEMBL4650907 0.80 POLB (0.51) PTPN1ALDH1A1
SCHEMBL7680157 0.80 PTPN1 (0.56) PTPN1CTSSCTSKCTSBPTPN22
SCHEMBL7155948 0.80 POLB (0.51) PTPN1ALDH1A1
SCHEMBL7672421 0.79 PTPN1 (0.58) PTPN1CTSSCTSKCTSBPTPN22
SCHEMBL4650261 0.79 PTPN1 (0.51) PTPN1CTSSCTSKCTSBPTPN22

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 PTPN1 5/4885CTSS 2322/4885CTSK 3166/4885

“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.