SCHEMBL5404964

SCHEMBL5404964

CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccccc2-c2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.47
CXCR5 P32302 15/20 0.42
EPHX2 P34913 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL29707280 0.93 GHSR (0.53) GHSRCXCR5EPHX2
SCHEMBL1425219 0.93 GHSR (0.53) GHSRCXCR5EPHX2
SCHEMBL5393170 0.85 CXCR5 (0.50) GHSRCXCR5
SCHEMBL29715495 0.85 GHSR (0.63) GHSRCXCR5EPHX2CA12CA1
SCHEMBL2813574 0.85 GHSR (0.63) GHSRCXCR5EPHX2CA12CA1
SCHEMBL18614234 0.85 GHSR (0.63) GHSRCXCR5EPHX2CA12CA1
SCHEMBL5390112 0.84 CXCR5 (0.46) GHSRCXCR5
SCHEMBL5413304 0.81 GHSR (0.41) GHSRCXCR5EPHX2CA12CA1
SCHEMBL28252154 0.81 GAA (0.39) GHSRCA1CA7
SCHEMBL5416762 0.80 GHSR (0.52) GHSREPHX2CA12CA1CA7

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 GHSR 183/4885CXCR5 721/4885EPHX2 2941/4885

“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.