SCHEMBL7137295

SCHEMBL7137295

CC[C@H](C)CN(C(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)CO)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.40
PTPN11 Q06124 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
YAP1 P46937 3/20 0.37
GPR119 Q8TDV5 4/20 0.37
STS P08842 2/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL7047995 0.78 CTSS (0.46) KMT2AGPR119
SCHEMBL7137297 0.78 ALDH1A1 (0.42) KMT2AMEN1YAP1GPR119STS
SCHEMBL7137802 0.76 CTSK (0.44)
SCHEMBL7136828 0.75 KMT2A (0.57) KMT2AMEN1YAP1GPR119STS
SCHEMBL7133720 0.75 MEN1 (0.43) KMT2AMEN1YAP1GPR119STS
SCHEMBL7134284 0.71 PTPRB (0.40) PTPRBPTPN11KMT2AYAP1GPR119
SCHEMBL7137524 0.70 YAP1 (0.44) PTPRBPTPN11KMT2AYAP1GPR119
SCHEMBL15724529 0.69 CTSK (0.54)
SCHEMBL22929136 0.69 YAP1 (0.65) YAP1GPR119
SCHEMBL13282013 0.67 MAOB (0.53) GPR119PTPN2PTPN1PTPN6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 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 (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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL PTPRB 2107/4885PTPN11 1685/4885KMT2A 4353/4885

“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.