SCHEMBL4290758

SCHEMBL4290758

CCCCCCCCCc1ccc(CCNC2CCC(C(=O)O)(C(=O)O)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
CNR2 P34972 11/20 0.38
CNR1 P21554 8/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 0.34
KAT8 Q9H7Z6 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
SCHEMBL4287385 1.00 SPHK1 (0.39) SPHK1CNR2CNR1MEN1KMT2A
SCHEMBL4288628 0.93 CNR2 (0.37) SPHK1CNR2CNR1MEN1KMT2A
SCHEMBL4300197 0.93 CNR2 (0.37) SPHK1CNR2CNR1MEN1KMT2A
SCHEMBL4289765 0.91 CNR2 (0.38) SPHK1CNR2CNR1MEN1KMT2A
SCHEMBL4292807 0.91 CNR2 (0.38) SPHK1CNR2CNR1MEN1KMT2A
SCHEMBL4288412 0.91 CNR2 (0.36) SPHK1CNR2CNR1
SCHEMBL4288421 0.91 CNR2 (0.36) SPHK1CNR2CNR1
SCHEMBL4287287 0.89 SPHK1 (0.35) SPHK1CNR2CNR1MEN1KMT2A
SCHEMBL5797229 0.89 CNR2 (0.34) SPHK1CNR2CNR1
SCHEMBL4293681 0.88 CNR2 (0.37) SPHK1CNR2CNR1MEN1KMT2A

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 SPHK1 7/4885CNR2 25/4885CNR1 27/4885

“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.