SCHEMBL6494201

SCHEMBL6494201

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)c2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.54
CTSK P43235 7/20 0.54
ACE P12821 2/20 0.54
SCN9A Q15858 1/20 0.51
CTSL P07711 3/20 0.49
PPARA Q07869 5/20 0.49
PPARG P37231 4/20 0.49
PPARD Q03181 2/20 0.47
CTSB P07858 1/20 0.47
PTPN1 P18031 1/20 0.47
IDO1 P14902 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
TACR1 P25103 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
SCHEMBL6495441 0.91 TACR1 (0.51) CTSSCTSKACESCN9ACTSL
SCHEMBL18428007 0.85 ATM (0.46) CTSSCTSKACECTSLPPARA
SCHEMBL613640 0.82 CTSS (0.76) CTSSCTSKACESCN9ACTSL
SCHEMBL4122289 0.82 CTSS (0.76) CTSSCTSKACESCN9ACTSL
SCHEMBL4600435 0.82 CTSS (0.76) CTSSCTSKACESCN9ACTSL
SCHEMBL29401990 0.82 CTSS (0.76) CTSSCTSKACESCN9ACTSL
SCHEMBL6503900 0.82 CTSS (0.52) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL7059635 0.82 ERAP2 (0.48) ACEPTPN1ITGB3ITGA2BTACR1
SCHEMBL17912391 0.81 CTSS (0.57) CTSSCTSKACESCN9ACTSL
SCHEMBL17912388 0.81 CTSS (0.57) CTSSCTSKACESCN9ACTSL

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
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 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-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CTSS 2380/4885CTSK 2543/4885ACE 1661/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CTSS 2380/4885CTSK 2543/4885ACE 1661/4885

“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.