SCHEMBL5350571

SCHEMBL5350571

CC(C(=O)Nc1cc(C#N)ccc1Cc1ccccc1C(=O)O)c1cccc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.75
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC16A3 O15427 1/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
XIAP P98170 1/20 0.37
POLB P06746 1/20 0.37
PLA2G4A P47712 1/20 0.37
LTB4R Q15722 1/20 0.37
GAA P10253 1/20 0.37
CDK2 P24941 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CMA1 P23946 1/20 0.36

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 0.89 PTGER4 (0.59) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5352243 0.89 PTGER4 (0.58) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5352224 0.89 PTGER4 (0.58) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL2979174 0.87 PTGER4 (0.62) PTGER4
SCHEMBL5351931 0.87 PTGER4 (0.81) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5352181 0.86 PTGER4 (1.00) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL29433720 0.86 PTGER4 (1.00) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5358499 0.86 PTGER4 (1.00) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5351322 0.86 PTGER4 (1.00) PTGER4MEN1KMT2AKDM4ELMNA
SCHEMBL5353667 0.86 PTGER4 (0.79) PTGER4MEN1KMT2AKDM4ELMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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-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-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
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-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-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 (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-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-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.