SCHEMBL6344417

SCHEMBL6344417

CCOC(=O)COc1ccc(C#N)cc1NC(=O)C(CC(C)C)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
NLRP3 Q96P20 4/20 0.37
LTC4S Q16873 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
ALK Q9UM73 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6340790 0.90 PTGDR2 (0.44) ALDH1A1HPGDCASP3
SCHEMBL6787586 0.86 MMP3 (0.36) ALDH1A1HPGDNPSR1RXFP1SMN1; SMN2
SCHEMBL6346170 0.81 KDM4E (0.41) MAPTNPSR1
SCHEMBL14569820 0.77 PTGER4 (0.42)
SCHEMBL6339372 0.77 PTGER4 (0.46)
SCHEMBL6347395 0.76 PTGER4 (0.51)
SCHEMBL5351605 0.76 PTGER4 (0.49) ALDH1A1MAPT
SCHEMBL5352209 0.75 PTGER4 (0.59) HPGDLMNASMN1; SMN2
SCHEMBL6348814 0.74 PTGER4 (0.45) ALDH1A1MAPTNLRP3SMN1; SMN2
SCHEMBL5352243 0.74 PTGER4 (0.58) HPGDLMNASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835752-B2 Can bind to Prostaglandin E2 receptors, especially, EP3 receptor and/or EP4 receptor and show antagonizing activity, and may be useful for prevention and/or treatment of disease, for example, pain, allergy, Alzheimer's disease, cancer ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US claimed
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US claimed
EP-1312601-A1 CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-21 EP claimed
US-20050026908-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical aggents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-02-03 US disclosed
US-6835752-B2 Can bind to Prostaglandin E2 receptors, especially, EP3 receptor and/or EP4 receptor and show antagonizing activity, and may be useful for prevention and/or treatment of disease, for example, pain, allergy, Alzheimer's disease, cancer ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US disclosed
US-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-11-25 US disclosed
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
EP-1312601-A1 CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-21 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 (3 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-20050026908-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical aggents comprising the same as active ingredient PTGER4, PTGER3, LTB4R ALDH1A1 399/4885HPGD 195/4885MITF 4723/4885
US-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PTGER4, PTGER1, LTB4R ALDH1A1 224/4885HPGD 128/4885MITF 4618/4885
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient PTGER4, PTGER1, PTGER2 ALDH1A1 212/4885HPGD 162/4885MITF 4727/4885

“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.