SCHEMBL4650423

SCHEMBL4650423

CC(C)(C)OC(=O)NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)NCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.53
PTPN1 P18031 4/20 0.52
CTSS P25774 8/20 0.51
CTSK P43235 7/20 0.51
CTSB P07858 4/20 0.51
CTSL P07711 2/20 0.51
AKT1 P31749 1/20 0.50
CA2 P00918 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.47

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
SCHEMBL6800465 0.87 CTSS (0.58) BCL2PTPN1CTSSCTSKCTSB
SCHEMBL6800473 0.87 CTSS (0.58) BCL2PTPN1CTSSCTSKCTSB
SCHEMBL4650210 0.85 GRIA1 (0.52) CTSSCTSKCTSBCTSL
SCHEMBL13286852 0.83 KLK5 (0.53) BCL2PTPN1CTSSCTSKCTSB
SCHEMBL13286851 0.82 CTSS (0.49) BCL2PTPN1CTSSCTSKCTSB
SCHEMBL2791359 0.82 ACE (0.53) BCL2PTPN1CTSSCTSKCTSB
SCHEMBL2791356 0.82 ACE (0.53) BCL2PTPN1CTSSCTSKCTSB
SCHEMBL8325214 0.82 ITGA4 (0.51) BCL2CTSSCTSKCTSBCTSL
SCHEMBL7167610 0.82 ITGA4 (0.51) BCL2CTSSCTSKCTSBCTSL
SCHEMBL7047054 0.81 ALDH1A1 (0.46) BCL2CA2

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 BCL2 1145/4885PTPN1 5/4885CTSS 2322/4885

“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.