SCHEMBL8070837

SCHEMBL8070837

COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.39
CTSA P10619 2/20 0.38
CD274 Q9NZQ7 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
GRM2 Q14416 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
IGFBP5 P24593 1/20 0.36
KIT P10721 1/20 0.35
P4HTM Q9NXG6 1/20 0.35

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
SCHEMBL8072156 0.92 GRM2 (0.42) FFAR1CTSACD274GRM2KIT
SCHEMBL8072151 0.91 CD274 (0.37) FFAR1CTSACD274GRM2KIT
SCHEMBL3477920 0.89 PDE4D (0.41) FFAR1CTSACD274
SCHEMBL3467003 0.88 CTSA (0.41) FFAR1CTSAMRGPRX4
SCHEMBL3797530 0.86 CTSA (0.42) FFAR1CTSAMRGPRX4
SCHEMBL8066309 0.86 MAP4K4 (0.42) KIT
SCHEMBL3791661 0.82 PDE4D (0.44) CTSACD274GRM2
SCHEMBL7913183 0.81 MAPK1 (0.41)
SCHEMBL3794094 0.81 GRM2 (0.41) CTSAMRGPRX4GRM2
SCHEMBL7917992 0.81 ADORA2A (0.38) FFAR1CTSAGRM2KIT

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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FFAR1 1170/4885CTSA 3286/4885CD274 2749/4885

“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.