SCHEMBL21671207

SCHEMBL21671207

Nc1ccc(COC(=O)N[C@@H](Cc2cccnc2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
GPR132 Q9UNW8 4/20 0.51
CTSB P07858 3/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CYP3A4 P08684 1/20 0.50
F2 P00734 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
CTSL P07711 2/20 0.48

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
SCHEMBL20467724 1.00 ITGB3 (0.53) ITGB3ITGA2BGPR132CTSBCTSS
SCHEMBL5634425 0.92 GPR132 (0.58) ITGB3ITGA2BGPR132CTSBCTSS
SCHEMBL5634418 0.92 GPR132 (0.58) ITGB3ITGA2BGPR132CTSBCTSS
SCHEMBL31084239 0.92 GPR132 (0.58) ITGB3ITGA2BGPR132CTSBCTSS
SCHEMBL8717685 0.87 ITGB3 (0.66) ITGB3ITGA2BCTSBCTSSCTSK
SCHEMBL7084689 0.87 ITGB3 (0.66) ITGB3ITGA2BCTSBCTSSCTSK
SCHEMBL20467712 0.85 CTSB (0.48) CTSBCTSSCTSKCYP3A4F2
SCHEMBL21671229 0.85 CTSB (0.48) CTSBCTSSCTSKCYP3A4F2
SCHEMBL30918338 0.84 CTSL (0.55) GPR132CTSBCTSSCTSKCTSL
SCHEMBL21643185 0.83 ITGB3 (0.48) ITGB3ITGA2BGPR132CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200040372-A1 METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-06 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-20200040372-A1 METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM AARS1, NSUN3, RNGTT ITGB3 3924/4885ITGA2B 4208/4885GPR132 3742/4885

“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.