SCHEMBL4659019

SCHEMBL4659019

COC(=O)c1cc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)ccc1SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
FFAR1 O14842 2/20 0.49
RAB9A P51151 2/20 0.47
LTA4H P09960 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
S1PR1 P21453 2/20 0.46
NPC1 O15118 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL4657735 0.93 FFAR1 (0.51) FFAR1RAB9ALTA4HGAASMN1; SMN2
SCHEMBL4656898 0.89 FFAR1 (0.54) ALDH1A1HPGDFFAR1RAB9ALTA4H
SCHEMBL4659396 0.89 FFAR1 (0.54) ALDH1A1HPGDFFAR1RAB9ALTA4H
SCHEMBL4658183 0.88 FFAR1 (0.55) ALDH1A1HPGDFFAR1RAB9ALTA4H
SCHEMBL4659021 0.88 FFAR1 (0.52) ALDH1A1HPGDFFAR1RAB9ALTA4H
SCHEMBL4658408 0.87 MEN1 (0.51) ALDH1A1HPGDFFAR1RAB9ALTA4H
SCHEMBL4658004 0.87 FFAR1 (0.51) ALDH1A1HPGDFFAR1RAB9ALTA4H
SCHEMBL4657775 0.87 RAB9A (0.58) ALDH1A1HPGDFFAR1RAB9ALTA4H
SCHEMBL14544233 0.85 FFAR1 (0.47) ALDH1A1HPGDFFAR1RAB9ALTA4H
SCHEMBL4658325 0.82 FFAR1 (0.57) FFAR1RAB9ALTA4HGAASMN1; SMN2

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 ALDH1A1 411/4885HPGD 363/4885FFAR1 2/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 ALDH1A1 261/4885HPGD 456/4885FFAR1 2/4885

“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.