SCHEMBL6798440

SCHEMBL6798440

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
EPHX1 P07099 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6802684 0.82 CA2 (0.42) ALDH1A1CA1CA2HSD17B10
SCHEMBL6807973 0.78 ESR1 (0.40) GRIA4ESR1ESR2F2F10
SCHEMBL6798436 0.75 ESR1 (0.43) ESR1ESR2F2F10ALDH1A1
SCHEMBL15298872 0.68 HSD17B10 (0.53) ESR1ESR2F2F10ALDH1A1
SCHEMBL6799759 0.67 ESR1 (0.41) GRIA4ESR1ESR2LMNA
SCHEMBL6807967 0.66 ESR1 (0.51) ESR1ESR2F2F10ALDH1A1
SCHEMBL25478361 0.65 NR1I2 (0.45) GRIA4ESR1ESR2ALDH1A1LMNA
SCHEMBL4692057 0.64 ESR1 (0.57) ESR1ESR2F2F10ALDH1A1
SCHEMBL19407525 0.64 CYP2C19 (0.48) ESR1ESR2F2F10ALDH1A1
SCHEMBL24604587 0.64 ESR1 (0.41) GRIA4ESR1ESR2ALDH1A1LMNA

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 GRIA4 1481/4885ESR1 3294/4885ESR2 2712/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B GRIA4 1307/4885ESR1 3114/4885ESR2 2768/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B GRIA4 1411/4885ESR1 3279/4885ESR2 2706/4885

“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.