SCHEMBL7611985

SCHEMBL7611985

CC(CCNC(=O)O)CC(=O)NCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.36
FDPS P14324 2/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ECE1 P42892 1/20 0.34
PSMB5 P28074 1/20 0.30

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
SCHEMBL7465098 0.84 ECE1 (0.42) GGPS1FDPSCYP2D6CYP2C19ALDH1A1
SCHEMBL12582857 0.77 CA1 (0.41) ALDH1A1ECE1PSMB5
SCHEMBL7449899 0.77 GGPS1 (0.36) GGPS1FDPSCYP2D6CYP2C19
SCHEMBL15055259 0.76 KDM4E (0.38) GGPS1FDPSCYP2D6CYP2C19ALDH1A1
SCHEMBL6183151 0.75 SLC1A3 (0.52)
SCHEMBL6151365 0.74 PSMB5 (0.49) CYP2D6CYP2C19ALDH1A1PSMB5
SCHEMBL19545559 0.72 ALDH1A1 (0.42) ALDH1A1ECE1PSMB5
SCHEMBL10768344 0.72 CYP2D6 (0.39) GGPS1FDPSCYP2D6CYP2C19ALDH1A1
SCHEMBL7480181 0.71 ALDH1A1 (0.40) GGPS1FDPSALDH1A1ECE1
SCHEMBL6722031 0.70 CYP2D6 (0.44) CYP2D6CYP2C19ALDH1A1

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-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GGPS1 3122/4885FDPS 1919/4885CYP2D6 2686/4885

“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.