SCHEMBL6803288

SCHEMBL6803288

CCc1ccc2cc(C[C@H](CC(N)=O)OS(C)(=O)=O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
MMP13 P45452 2/20 0.36
MMP2 P08253 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC2A1 P11166 1/20 0.34
LDHA P00338 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
ADAM17 P78536 1/20 0.34
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL6795555 0.90 HTR2A (0.46) MMP13MMP1MMP9ADAM17HTR2A
SCHEMBL27360862 0.80 KDM4E (0.40) LDHAF2ITGB3ITGA2B
SCHEMBL6803189 0.80 ALDH1A1 (0.41) CYP2C19LDHAPPARGPPARA
SCHEMBL6802676 0.78 CA2 (0.43)
SCHEMBL6803425 0.76 AKR1C3 (0.48) AKR1C3AKR1C2CYP1A2CYP2A6MMP13
SCHEMBL6796335 0.76 AKR1C3 (0.48) AKR1C3AKR1C2CYP1A2CYP2A6MMP13
SCHEMBL6803645 0.76 AKR1C3 (0.48) AKR1C3AKR1C2CYP1A2CYP2A6MMP13
SCHEMBL6798436 0.76 ESR1 (0.43) F2PTGS2
SCHEMBL6798434 0.76 S1PR2 (0.46) HTR2AHTR2CPPARAPTGS2
SCHEMBL11217600 0.71 SLC2A1 (0.53) AKR1C3AKR1C2CYP1A2MMP13SLC2A1

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-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
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 CN 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 AKR1C3 813/4885AKR1C2 802/4885CYP1A2 518/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B AKR1C3 795/4885AKR1C2 777/4885CYP1A2 588/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B AKR1C3 733/4885AKR1C2 728/4885CYP1A2 496/4885

“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.