SCHEMBL5398474

SCHEMBL5398474

CC(C)(C)OC(=O)NC1(C(=O)O)Cc2ccc3ccccc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 6/20 0.47
F2 P00734 1/20 0.41
PROC P04070 1/20 0.41
GHSR Q92847 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CXCR2 P25025 1/20 0.36
NQO2 P16083 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
WDR5 P61964 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL5393170 0.83 CXCR5 (0.50) CXCR5GHSR
SCHEMBL1425219 0.82 GHSR (0.53) CXCR5GHSR
SCHEMBL29707280 0.82 GHSR (0.53) CXCR5GHSR
SCHEMBL27512499 0.80 CXCR5 (0.48) CXCR5F2PROCNPC1GAA
SCHEMBL5390112 0.79 CXCR5 (0.46) CXCR5GHSR
SCHEMBL5404964 0.79 GHSR (0.47) CXCR5GHSRCA12CA1CA7
SCHEMBL29715495 0.75 GHSR (0.63) CXCR5GHSRCA12CA1CA7
SCHEMBL2813574 0.75 GHSR (0.63) CXCR5GHSRCA12CA1CA7
SCHEMBL18614234 0.75 GHSR (0.63) CXCR5GHSRCA12CA1CA7
SCHEMBL31232640 0.74 GHSR (0.47) CXCR5GHSRMEN1KMT2ACTSS

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 721/4885F2 364/4885PROC 6/4885

“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.