SCHEMBL13979552

SCHEMBL13979552

COC(=O)Cc1ccc(NCCCc2ccc(OCCCCCc3ccccc3)cc2)cc1CC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.53
S1PR3 Q99500 4/20 0.53
S1PR5 Q9H228 2/20 0.53
FFAR1 O14842 2/20 0.48
MTNR1B P49286 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
PLA2G4B P0C869 1/20 0.44
KMT2A Q03164 2/20 0.43
S1PR4 O95977 1/20 0.43
LTA4H P09960 1/20 0.43
MEN1 O00255 1/20 0.43
MTNR1A P48039 1/20 0.43

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
SCHEMBL14544143 0.86 FFAR1 (0.52) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL13979619 0.86 FFAR1 (0.52) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL14544145 0.85 FFAR1 (0.53) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL4657948 0.81 S1PR1 (0.55) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL13979618 0.81 RAB9A (0.48) NR1H4KMT2ALTA4HMEN1
SCHEMBL12688084 0.80 FFAR1 (0.65) S1PR1S1PR3S1PR5FFAR1PLA2G4B
SCHEMBL4657192 0.80 S1PR1 (0.58) S1PR1S1PR3S1PR5FFAR1NR1H4
SCHEMBL14544244 0.79 RAB9A (0.48) S1PR1NR1H4KMT2ALTA4HMEN1
SCHEMBL14544256 0.79 FFAR1 (0.68) S1PR1S1PR3S1PR5FFAR1PLA2G4B
SCHEMBL13979610 0.79 FFAR1 (0.50) 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 3 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-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US 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-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

“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.