SCHEMBL6798436

SCHEMBL6798436

CCCC(CCC)c1ccc(C[C@H](CC(N)=O)OS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
F2 P00734 2/20 0.36
F10 P00742 1/20 0.36
EPHX1 P07099 1/20 0.35
ALOX5 P09917 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CXCR1 P25024 3/20 0.33
CXCR2 P25025 3/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6802676 0.82 CA2 (0.43) CA1CA2ALDH1A1
SCHEMBL6803189 0.81 ALDH1A1 (0.41) CA1CA2ALDH1A1GAA
SCHEMBL27360862 0.81 KDM4E (0.40) F2EPHX1CA1CA2
SCHEMBL6798434 0.80 S1PR2 (0.46) ESR1CA1CA2LMNAALDH1A1
SCHEMBL6807967 0.77 ESR1 (0.51) ESR1ESR2F2F10EPHX1
SCHEMBL6803288 0.76 AKR1C3 (0.41) F2PTGS2
SCHEMBL6798440 0.75 GRIA4 (0.35) ESR1ESR2F2F10EPHX1
SCHEMBL6795555 0.73 HTR2A (0.46) CA2
SCHEMBL6807133 0.70 CA2 (0.39) CA1CA2LMNA
SCHEMBL6800288 0.68 TP53 (0.40) CA2LMNA

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 ESR1 3294/4885ESR2 2712/4885F2 481/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ESR1 3114/4885ESR2 2768/4885F2 541/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ESR1 3279/4885ESR2 2706/4885F2 459/4885

“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.