Sugi Predict

Sugi Predict / Compounds / SCHEMBL6787586

SCHEMBL6787586

SCHEMBL6787586

COCOc1ccc(C#N)cc1NC(=O)C(CC(C)C)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 2/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ PTGER4 P35408 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 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
SCHEMBL6340790 0.89 PTGDR2 (0.44) ANPEPKDM4EALDH1A1HPGDROCK2
SCHEMBL6344417 0.86 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2NPSR1RXFP1
SCHEMBL6346170 0.84 KDM4E (0.41) ANPEPKDM4ENPSR1ROCK2PTGER4
SCHEMBL5351605 0.80 PTGER4 (0.49) ANPEPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL14569820 0.79 PTGER4 (0.42) ANPEPROCK2PTGER4
SCHEMBL6339372 0.79 PTGER4 (0.46) PTGER4
SCHEMBL6347395 0.79 PTGER4 (0.51) PTGER4
SCHEMBL5352209 0.77 PTGER4 (0.59) ANPEPKDM4EMEN1HPGDKMT2A
SCHEMBL5352243 0.77 PTGER4 (0.58) ANPEPKDM4EMEN1HPGDKMT2A
SCHEMBL5352224 0.77 PTGER4 (0.58) ANPEPKDM4EMEN1HPGDKMT2A

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 3 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 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

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-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PTGER4, PTGER1, LTB4R MMP3 3357/4885ANPEP 1907/4885KDM4E 2300/4885
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient PTGER4, PTGER1, PTGER2 MMP3 3364/4885ANPEP 1860/4885KDM4E 2273/4885

“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.