SCHEMBL6495441

SCHEMBL6495441

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.51
CTSS P25774 7/20 0.50
CTSK P43235 6/20 0.50
KLK5 Q9Y337 1/20 0.48
CTSL P07711 4/20 0.45
ACE P12821 2/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CTSB P07858 1/20 0.43
SCN9A Q15858 2/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6494201 0.91 CTSS (0.54) TACR1CTSSCTSKCTSLACE
SCHEMBL15804392 0.87 TACR1 (0.54) TACR1CTSSCTSKKLK5CTSL
SCHEMBL15807614 0.87 TACR1 (0.54) TACR1CTSSCTSKKLK5CTSL
SCHEMBL31725814 0.87 TACR1 (0.54) TACR1CTSSCTSKKLK5CTSL
SCHEMBL15792307 0.87 TACR1 (0.54) TACR1CTSSCTSKKLK5CTSL
SCHEMBL28127769 0.85 KLK5 (0.52) TACR1CTSSCTSKKLK5CTSL
SCHEMBL15792088 0.84 TACR1 (0.48) TACR1CTSSCTSKKLK5CTSL
SCHEMBL15792087 0.84 TACR1 (0.48) TACR1CTSSCTSKKLK5CTSL
SCHEMBL7065002 0.84 TACR1 (0.48) TACR1MAPTTP53SCN9A
SCHEMBL15807804 0.81 TACR1 (0.48) TACR1CTSSCTSKKLK5CTSL

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 TACR1 2748/4885CTSS 2380/4885CTSK 2543/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TACR1 2748/4885CTSS 2380/4885CTSK 2543/4885

“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.