SCHEMBL5393170

SCHEMBL5393170

CC(C)(C)OC(=O)NC1(C(=O)O)Cc2cc3ccccc3cc2C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 17/20 0.50
PYGL P06737 2/20 0.46
CYP2C9 P11712 1/20 0.46
GHSR Q92847 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
SCHEMBL1425219 0.89 GHSR (0.53) CXCR5GHSR
SCHEMBL29707280 0.89 GHSR (0.53) CXCR5GHSR
SCHEMBL5390112 0.85 CXCR5 (0.46) CXCR5GHSR
SCHEMBL5404964 0.85 GHSR (0.47) CXCR5GHSR
SCHEMBL5398474 0.83 CXCR5 (0.47) CXCR5GHSR
SCHEMBL31232640 0.82 GHSR (0.47) CXCR5PYGLCYP2C9GHSR
SCHEMBL26132071 0.82 GHSR (0.47) CXCR5PYGLCYP2C9GHSR
SCHEMBL5388588 0.82 ALDH1A1 (0.42) CXCR5GHSR
SCHEMBL30663978 0.82 GHSR (0.41) CXCR5GHSR
SCHEMBL2405143 0.82 NR1H2 (0.43) CXCR5GHSR

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-7265220-B2 Amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATORIES SERVIER (FR) 2007-09-04 US disclosed
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATOIRES SERVIER (FR) 2005-04-21 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-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative ARGLU1, PNISR, ATIC CXCR5 721/4885PYGL 922/4885CYP2C9 56/4885

“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.