SCHEMBL4656567

SCHEMBL4656567

CC(C)(C)OC(=O)NCCCc1ccc(OCCCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.60
S1PR3 Q99500 2/20 0.60
S1PR5 Q9H228 1/20 0.60
CA12 O43570 5/20 0.60
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA9 Q16790 5/20 0.60
FFAR1 O14842 1/20 0.55
SIGMAR1 Q99720 2/20 0.53
SUCNR1 Q9BXA5 2/20 0.52
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PLA2G4B P0C869 1/20 0.50
IDO1 P14902 1/20 0.50

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
SCHEMBL13886736 0.94 FFAR1 (0.56) S1PR1S1PR3S1PR5CA12CA1
SCHEMBL13886735 0.90 NPC1 (0.57) S1PR1S1PR3CA12CA1CA2
SCHEMBL15092809 0.88 CA12 (0.52) S1PR1S1PR3S1PR5CA12CA1
SCHEMBL7275476 0.88 BCHE (0.56) CA12CA1CA2CA9FFAR1
SCHEMBL15092810 0.88 MAPT (0.64) CA12CA1CA2CA9SIGMAR1
SCHEMBL1541945 0.87 CA1 (0.64) CA12CA1CA2CA9SUCNR1
SCHEMBL5468072 0.87 NPSR1 (0.61) SIGMAR1POLBNPSR1IDO1
SCHEMBL22102023 0.87 NPSR1 (0.61) SIGMAR1POLBNPSR1IDO1
SCHEMBL4583683 0.87 POLB (0.65) SIGMAR1POLBNPSR1IDO1
SCHEMBL30521147 0.87 CA1 (0.60) S1PR1S1PR3S1PR5CA12CA1

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 9 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-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-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.