SCHEMBL4657948

SCHEMBL4657948

COC(=O)c1ccc(NCCCc2ccc(OCCCCCc3ccccc3)cc2)cc1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.55
S1PR3 Q99500 4/20 0.55
S1PR5 Q9H228 2/20 0.55
FFAR1 O14842 2/20 0.50
NR1H4 Q96RI1 1/20 0.46
PLA2G4B P0C869 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
S1PR4 O95977 1/20 0.45
EGFR P00533 1/20 0.44

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
SCHEMBL4657192 0.88 S1PR1 (0.58) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL4656898 0.85 FFAR1 (0.54) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL4659396 0.85 FFAR1 (0.54) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL4658183 0.84 FFAR1 (0.55) S1PR1FFAR1NR1H4KMT2AMEN1
SCHEMBL4658124 0.83 S1PR1 (0.55) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL13979552 0.81 S1PR1 (0.53) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL4659416 0.79 RAB9A (0.48) NR1H4KMT2AMEN1
SCHEMBL7630413 0.78 FFAR1 (0.51) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL4659021 0.78 FFAR1 (0.52) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL4658408 0.77 MEN1 (0.51) S1PR1S1PR3S1PR5FFAR1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391199-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-12-10 EP disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-11 US disclosed
EP-1391199-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 EP 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 (2 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-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient EDF1, FFAR1, EDNRA S1PR1 405/4885S1PR3 1027/4885S1PR5 854/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 S1PR1 374/4885S1PR3 1073/4885S1PR5 873/4885

“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.