SCHEMBL5285183

SCHEMBL5285183

CC[C@H](C)[C@H](NC(=O)Cc1ccccc1C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 1/20 0.50
FPR2 P25090 2/20 0.48
PYGL P06737 2/20 0.47
ANPEP P15144 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ATM Q13315 1/20 0.45
GFER P55789 1/20 0.44

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
SCHEMBL16114864 0.82 POLB (0.59) CYP2C9CYP2C19ANPEPALDH1A1KMT2A
SCHEMBL5917036 0.82 POLB (0.59) CYP2C9CYP2C19ANPEPALDH1A1KMT2A
SCHEMBL5917035 0.82 POLB (0.59) CYP2C9CYP2C19ANPEPALDH1A1KMT2A
SCHEMBL9830901 0.82 POLB (0.59) CYP2C9CYP2C19ANPEPALDH1A1KMT2A
SCHEMBL8558467 0.82 FPR2 (0.44) CYP2C9CYP2C19FPR2PYGLALDH1A1
SCHEMBL8558470 0.82 FPR2 (0.44) CYP2C9CYP2C19FPR2PYGLALDH1A1
SCHEMBL6136600 0.81 POLB (0.50) ALDH1A1KMT2AMEN1
SCHEMBL5285749 0.81 ALDH1A1 (0.49) ALDH1A1HTTKMT2AMEN1
SCHEMBL5966846 0.81 ALDH1A1 (0.49) ALDH1A1HTTKMT2AMEN1
SCHEMBL6996015 0.81 KMT2A (0.47) CYP2C9CYP2C19FPR2PYGLALDH1A1

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 CYP2C9 4299/4885CYP2C19 4445/4885FPR2 1589/4885

“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.