SCHEMBL6796335

SCHEMBL6796335

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
FCER2 P06734 2/20 0.39
MMP9 P14780 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL6803645 1.00 AKR1C3 (0.48) AKR1C3AKR1C2CYP1A2CYP2A6HTR2A
SCHEMBL6800270 0.86 HTR2A (0.51) CYP1A2HTR2AHTR2CHTR2BFCER2
SCHEMBL6804161 0.86 HTR2A (0.51) CYP1A2HTR2AHTR2CHTR2BFCER2
SCHEMBL6798261 0.86 AKR1C3 (0.53) AKR1C3AKR1C2CYP1A2CYP2A6MMP9
SCHEMBL6802397 0.86 AKR1C3 (0.53) AKR1C3AKR1C2CYP1A2CYP2A6MMP9
SCHEMBL6803425 0.84 AKR1C3 (0.48) AKR1C3AKR1C2CYP1A2CYP2A6HTR2A
SCHEMBL7589057 0.82 AKR1C3 (0.46) AKR1C3AKR1C2CYP1A2CYP2A6MMP9
SCHEMBL6802210 0.77 AKR1C3 (0.42) AKR1C3AKR1C2CYP1A2CYP2A6F2
SCHEMBL27348042 0.77 AKR1C3 (0.42) AKR1C3AKR1C2CYP1A2CYP2A6HTR2A
SCHEMBL6803288 0.76 AKR1C3 (0.41) AKR1C3AKR1C2CYP1A2CYP2A6HTR2A

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 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.