SCHEMBL4295325

SCHEMBL4295325

CCCCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)OC(C)C)C2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.34
CNR1 P21554 7/20 0.34
CCR2 P41597 2/20 0.31
DNTT P04053 1/20 0.31
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL5795112 0.91 S1PR1 (0.36) CCR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4291227 0.90 CNR2 (0.37) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL4300331 0.90 CNR2 (0.37) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL5795898 0.89 S1PR1 (0.37) CCR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4294299 0.89 CNR2 (0.35) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL5795894 0.85 S1PR1 (0.34) CCR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4292807 0.85 CNR2 (0.38) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL4289765 0.85 CNR2 (0.38) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL4294226 0.85 S1PR1 (0.45) CCR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4296381 0.85 S1PR4 (0.34) CNR2CNR1S1PR4S1PR1S1PR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 CNR2 25/4885CNR1 27/4885CCR2 72/4885

“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.