SCHEMBL6796065

SCHEMBL6796065

NC(=O)C[C@@H](O)CCCCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.70
TRPV1 Q8NER1 3/20 0.62
FAAH O00519 1/20 0.52
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
S1PR2 O95136 1/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
DPP4 P27487 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
LMNA P02545 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
ALOX5 P09917 1/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL16320515 0.87 TRPA1 (0.74) TRPA1TRPV1MAPTRXFP1S1PR2
SCHEMBL3877196 0.85 TRPA1 (0.71) TRPA1TRPV1MAPTRXFP1MMP2
SCHEMBL19682101 0.82 TRPA1 (0.67) TRPA1TRPV1FAAHMAPTRXFP1
SCHEMBL10095138 0.82 TRPA1 (0.68) TRPA1TRPV1MAPTRXFP1S1PR2
SCHEMBL29141353 0.81 DPP4 (0.66) TRPA1TRPV1MAPTRXFP1S1PR2
SCHEMBL865266 0.80 FAAH (0.58) TRPA1TRPV1FAAHMAPTRXFP1
SCHEMBL5135541 0.80 FAAH (0.58) TRPA1TRPV1FAAHMAPTRXFP1
SCHEMBL28009949 0.80 MMP12 (0.65) TRPA1TRPV1MAPTRXFP1DPP4
SCHEMBL1063147 0.80 MMP12 (0.65) TRPA1TRPV1MAPTRXFP1DPP4
SCHEMBL11120194 0.80 TRPA1 (0.59) TRPA1TRPV1FAAHMAPTRXFP1

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 TRPA1 916/4885TRPV1 845/4885FAAH 44/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B TRPA1 878/4885TRPV1 887/4885FAAH 45/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B TRPA1 908/4885TRPV1 875/4885FAAH 50/4885

“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.