SCHEMBL3543365

SCHEMBL3543365

Cc1cc(CC(C(=O)O)C(=O)OC(C)(C)C)cc(OCc2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
LTA4H P09960 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
SLC7A5 Q01650 1/20 0.38
HTT P42858 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PTGER1 P34995 3/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
CYP2C9 P11712 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL3539787 0.84 MEN1 (0.46) FFAR4LTA4HITGA4ITGB7SGMS2
SCHEMBL13030975 0.82 KLK5 (0.53) ITGA4ITGB7MEN1KMT2A
SCHEMBL139773 0.79 POLB (0.46) FFAR4LTA4HMEN1KMT2ACYP2C9
SCHEMBL1595571 0.77 ITGA4 (0.51) ITGA4ITGB7SLC7A5
SCHEMBL4909735 0.77 ITGA4 (0.51) ITGA4ITGB7SLC7A5
SCHEMBL1595565 0.77 ITGA4 (0.51) ITGA4ITGB7SLC7A5
SCHEMBL3522497 0.77 PPARA (0.56) FFAR4LTA4H
SCHEMBL3522492 0.77 PPARA (0.56) FFAR4LTA4H
SCHEMBL27804913 0.74 ITGA4 (0.41) FFAR4LTA4HITGA4ITGB7SLC7A5
SCHEMBL9160311 0.72 ITGA4 (0.52) ITGA4ITGB7SLC7A5SYK

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-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA FFAR4 674/4885LTA4H 280/4885ITGA4 3172/4885

“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.