Sugi Predict

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SCHEMBL4289765

SCHEMBL4289765

CCCCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)O)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.38
▸ CNR1 P21554 5/20 0.38
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ MEN1 O00255 1/20 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
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.34
▸ BID P55957 3/20 0.34
▸ MCL1 Q07820 3/20 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
SCHEMBL4292807 1.00 CNR2 (0.38) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL4300331 0.93 CNR2 (0.37) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL4291227 0.93 CNR2 (0.37) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL4287385 0.91 SPHK1 (0.39) CNR2CNR1MEN1TP53CYP3A4
SCHEMBL4290758 0.91 SPHK1 (0.39) CNR2CNR1MEN1TP53CYP3A4
SCHEMBL4288538 0.89 S1PR4 (0.34) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL4296381 0.89 S1PR4 (0.34) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL5797229 0.89 CNR2 (0.34) CNR2CNR1SPHK1
SCHEMBL4298485 0.88 CNR2 (0.37) CNR2CNR1S1PR4S1PR1S1PR3
SCHEMBL4288625 0.87 CNR2 (0.38) 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 8 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
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 — — WO claimed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 — — WO claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 — — US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 — — US disclosed
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 27/4885S1PR4 5/4885

“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.