SCHEMBL13266885

SCHEMBL13266885

CC(C)(O)[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.52
PTPN1 P18031 1/20 0.45
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
CTSL P07711 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL13267485 0.87 ANPEP (0.47) ANPEP
SCHEMBL10287224 0.87 HPGDS (0.51) ADAMTS5ALDH1A1NPC1LMNA
SCHEMBL255220 0.86 NPC1 (0.41) NPC1
SCHEMBL13244783 0.86
SCHEMBL201374 0.86 ANPEP (0.54) ANPEPPTPN1MMP2MMP8MMP12
SCHEMBL405554 0.85 TAS1R3 (0.50) ANPEPALDH1A1HPGDNPC1LMNA
SCHEMBL13266884 0.84 EPHX2 (0.44)
SCHEMBL13266970 0.83 HDAC1 (0.44)
SCHEMBL12361495 0.82 PLK1 (0.48) ANPEPMMP2ALDH1A1NPC1
SCHEMBL13267173 0.80 MKNK1 (0.56) NPC1LMNA

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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ANPEP 735/4885PTPN1 3039/4885MMP2 446/4885

“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.