SCHEMBL5352243

SCHEMBL5352243

CC(C)CC(C(=O)Nc1cc(C#N)ccc1Cc1ccccc1C(=O)O)c1cccc2ccccc12.[Na]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.58
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC16A3 O15427 1/20 0.36
XIAP P98170 1/20 0.35
HTT P42858 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
ANPEP P15144 1/20 0.35
PLA2G4A P47712 1/20 0.34
LTB4R Q15722 1/20 0.34
POLB P06746 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5352209 0.99 PTGER4 (0.59) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5352224 0.98 PTGER4 (0.58) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5351605 0.92 PTGER4 (0.49) PTGER4MEN1KMT2AKDM4EXIAP
SCHEMBL5352233 0.91 PTGER4 (0.49) PTGER4XIAPANPEPPOLBCTSL
SCHEMBL6710706 0.89 PTGER4 (0.46) PTGER4
SCHEMBL5350571 0.89 PTGER4 (0.75) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL6702424 0.87 PTGER4 (0.63) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5353199 0.86 PTGER4 (0.77) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL6700544 0.86 PTGER4 (0.53) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL14569820 0.86 PTGER4 (0.42) PTGER4XIAPANPEPROCK2

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
US-7196198-B2 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-27 US disclosed
US-20040235955-A1 Remedies for pruritus ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-25 US disclosed
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-07-01 US disclosed
EP-1426059-A1 REMEDIES FOR PRURITUS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-09 EP disclosed
US-6710205-B2 ANTIALLERGENS; ANTICANCER AGENTS; AUTOIMMUNE DISEASES; BONE DISORDERS; RHEUMATIC DISEASES; ANTIULCER AGENTS; SKIN DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-01 US disclosed
US-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US disclosed
EP-1314719-A1 BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
EP-1258473-A1 BENZOIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 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 (4 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-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient PTGER1, PTGER4, PTGES PTGER4 2/4885MEN1 4656/4885KMT2A 3534/4885
US-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ALOX5, PDGFRB, ALOX15B PTGER4 71/4885MEN1 1416/4885KMT2A 2119/4885
US-20040235955-A1 Remedies for pruritus PTGER3, PTGER2, PTGER1 PTGER4 8/4885MEN1 4545/4885KMT2A 2878/4885
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PDGFRB, ALOX5, ALOX15B PTGER4 114/4885MEN1 1455/4885KMT2A 2076/4885

“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.