SCHEMBL6804161

SCHEMBL6804161

NC(=O)C[C@H](O)Cc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
FCER2 P06734 2/20 0.48
MMP9 P14780 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
PPARD Q03181 1/20 0.47
EPHX1 P07099 2/20 0.46
MC5R P33032 2/20 0.45
MC1R Q01726 2/20 0.45
TNF P01375 1/20 0.45
DPP4 P27487 1/20 0.44
CYP1A2 P05177 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL6800270 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL6796335 0.86 AKR1C3 (0.48) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL6803645 0.86 AKR1C3 (0.48) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL6801159 0.85 CYP1A2 (0.53) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL6795573 0.85 CYP1A2 (0.53) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL6802719 0.84 CYP1A2 (0.49) HTR2AHTR2CHTR2BMMP9TNF
SCHEMBL6802063 0.84 HTR2A (0.56) HTR2AHTR2CHTR2BPPARGPPARA
SCHEMBL15915173 0.80 CYP1A2 (0.47) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL4575102 0.80 HTR2A (0.59) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL16064400 0.80 HTR2A (0.59) HTR2AHTR2CHTR2BFCER2MMP9

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 HTR2A 1260/4885HTR2C 2386/4885HTR2B 1097/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B HTR2A 1445/4885HTR2C 2647/4885HTR2B 1206/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B HTR2A 1373/4885HTR2C 2454/4885HTR2B 1172/4885

“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.