Sugi Predict

Sugi Predict / Compounds / SCHEMBL6806283

SCHEMBL6806283

SCHEMBL6806283

C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)N[C@@H](CCCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ PPARA Q07869 3/20 0.48
▸ KLK7 P49862 3/20 0.47
▸ KLK5 Q9Y337 3/20 0.47
▸ CACNA1B Q00975 4/20 0.47
▸ CTSL P07711 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ PPARG P37231 2/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1143900 0.93 SIRT2 (0.49) ITGB3ITGA2BPPARACTSLHDAC1
SCHEMBL8178286 0.89 PPARA (0.58) PPARAKLK7KLK5ACEPPARG
SCHEMBL8177426 0.89 PPARA (0.58) PPARAKLK7KLK5ACEPPARG
SCHEMBL28040934 0.88 PPARA (0.59) ITGB3ITGA2BPPARAKLK7KLK5
SCHEMBL11169588 0.87 ALDH1A1 (0.47) ITGB3ITGA2BPPARACACNA1BCTSL
SCHEMBL11027577 0.87 ALDH1A1 (0.47) ITGB3ITGA2BPPARACACNA1BCTSL
SCHEMBL29787920 0.87 ALDH1A1 (0.47) ITGB3ITGA2BPPARACACNA1BCTSL
SCHEMBL18261693 0.86 ITGB3 (0.54) ITGB3ITGA2BPPARAKLK7KLK5
SCHEMBL4846559 0.86 ITGB3 (0.54) ITGB3ITGA2BPPARAKLK7KLK5
SCHEMBL4750337 0.85 ITGB3 (0.58) ITGB3ITGA2BKLK7KLK5SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 — — US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 — — US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 — — EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 — — US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 — — EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 — — WO 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ITGB3 3824/4885ITGA2B 2067/4885PPARA 129/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ITGB3 3757/4885ITGA2B 2092/4885PPARA 154/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ITGB3 3648/4885ITGA2B 1858/4885PPARA 130/4885

“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.