SCHEMBL6801926

SCHEMBL6801926

CCCCN[C@H](CC(N)=O)Cc1ccc(CCCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
RARB P10826 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL6800799 0.95 SIGMAR1 (0.49) SIGMAR1S1PR2S1PR1THRATHRB
SCHEMBL8553953 0.94 SIGMAR1 (0.45) SIGMAR1NPC1RAB9ASMN1; SMN2PLK1
SCHEMBL6803279 0.94 SIGMAR1 (0.45) SIGMAR1NPC1RAB9ASMN1; SMN2PLK1
SCHEMBL6802005 0.82 KDM4E (0.42) SIGMAR1NPC1RAB9ASMN1; SMN2ITGB3
SCHEMBL6803100 0.81 SIGMAR1 (0.46) SIGMAR1
SCHEMBL27347413 0.80 LOXL2 (0.38) SIGMAR1
SCHEMBL6796677 0.80 HPGD (0.40) SIGMAR1SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL6803232 0.78 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2PLK1ALDH1A1
Hydrochloric Acid SCHEMBL3059803 0.77 SIGMAR1 (0.51) SIGMAR1NPC1RAB9APOLB
SCHEMBL6798509 0.77 EPHX1 (0.47) SIGMAR1NPC1RAB9ASMN1; SMN2

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 4 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

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 SIGMAR1 2194/4885NPC1 1389/4885RAB9A 819/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B SIGMAR1 1749/4885NPC1 1286/4885RAB9A 825/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B SIGMAR1 1951/4885NPC1 1487/4885RAB9A 904/4885

“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.