SCHEMBL4657190

SCHEMBL4657190

O=C(CCc1ccc(OCCCCCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 4/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.52
FFAR1 O14842 2/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
NR1H4 Q96RI1 1/20 0.48
LTA4H P09960 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
EPHX2 P34913 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MCL1 Q07820 1/20 0.46
BCL2A1 Q16548 1/20 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
SCHEMBL4657977 0.87 FFAR1 (0.57) FFAR1RAB9ANPC1NR1H4LTA4H
SCHEMBL4658325 0.87 FFAR1 (0.57) FFAR1RAB9ANPC1NR1H4LTA4H
SCHEMBL4656941 0.87 NPC1 (0.53) KMT2AALDH1A1MEN1LMNAHPGD
SCHEMBL4658315 0.86 FFAR1 (0.58) FFAR1RAB9ANPC1NR1H4LTA4H
SCHEMBL4656989 0.85 FFAR1 (0.55) ALDH1A1HPGDFFAR1NR1H4LTA4H
SCHEMBL4657178 0.84 FFAR1 (0.54) KMT2AMEN1FFAR1RAB9ANPC1
SCHEMBL4657145 0.84 FFAR1 (0.54) KMT2AALDH1A1HPGDFFAR1RAB9A
SCHEMBL4657896 0.84 FFAR1 (0.54) KMT2AMEN1FFAR1RAB9ANPC1
SCHEMBL4656826 0.84 FFAR1 (0.54) KMT2AMEN1FFAR1RAB9ANR1H4
SCHEMBL4658399 0.84 FFAR1 (0.54) FFAR1RAB9ANR1H4LTA4HMAPT

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 13 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 claimed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US claimed
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-11 US claimed
EP-1391199-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 EP claimed
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 KMT2A 4772/4885ALDH1A1 411/4885MEN1 1748/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 KMT2A 4829/4885ALDH1A1 261/4885MEN1 1352/4885

“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.