SCHEMBL6800944

SCHEMBL6800944

NC(=O)CCc1ccccc1[C]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MPO P05164 2/20 0.39
NR4A2 P43354 1/20 0.39
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
FFAR1 O14842 4/20 0.37
CAPN1 P07384 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PRMT1 Q99873 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
LMNA P02545 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
SCHEMBL6800800 0.83 PTGER1 (0.51) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL9321175 0.82 MTNR1A (0.47) MTNR1AMPONR4A2EGFRSRC
SCHEMBL6797888 0.77 TSHR (0.46) EGFRSRCKDM4ESMN1; SMN2LMNA
SCHEMBL15393306 0.77 MTNR1A (0.42) MTNR1AMPONR4A2EGFRSRC
SCHEMBL9036603 0.76 TAAR1 (0.50) MPOSMN1; SMN2
SCHEMBL29045424 0.75 FFAR1 (0.46) MTNR1AMPOFFAR1KDM4ESMN1; SMN2
SCHEMBL860002 0.75 TAAR1 (0.57) MTNR1AMPOKDM4E
SCHEMBL8967245 0.75 CYP4F2 (0.43) MTNR1AMPONR4A2EGFRSRC
SCHEMBL4681236 0.75 CYP4F2 (0.47) MTNR1AMPOEGFRSRCCAPN1
SCHEMBL250283 0.75 FDPS (0.46) MTNR1AMPONR4A2EGFRSRC

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
EP-1091760-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-18 EP disclosed
WO-2000000220-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-06 WO 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 MTNR1A 1281/4885MPO 677/4885NR4A2 1463/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B MTNR1A 1433/4885MPO 662/4885NR4A2 1497/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B MTNR1A 1412/4885MPO 637/4885NR4A2 1478/4885

“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.