SCHEMBL6803287

SCHEMBL6803287

CCCCc1ccc(C(C(N)=O)[C@H](C)NCCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK1 P53350 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SPHK1 Q9NYA1 4/20 0.40
ADRB2 P07550 2/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL27348663 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PLK1THRA
SCHEMBL6803238 0.81 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2PLK1THRA
SCHEMBL6802684 0.74 CA2 (0.42) NPC1RAB9ASMN1; SMN2PLK1THRA
SCHEMBL7290900 0.72 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2PLK1THRA
SCHEMBL964123 0.71 SPHK1 (0.49) THRATHRBALDH1A1SPHK1S1PR2
SCHEMBL6803279 0.71 SIGMAR1 (0.45) NPC1RAB9ASMN1; SMN2PLK1THRA
SCHEMBL8553953 0.71 SIGMAR1 (0.45) NPC1RAB9ASMN1; SMN2PLK1THRA
SCHEMBL6803409 0.71 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2PLK1ALDH1A1
SCHEMBL9475225 0.69 ALOX5 (0.66) ALDH1A1HPGDHSD17B10
SCHEMBL27502124 0.69 CA2 (0.48) NPC1RAB9ASMN1; SMN2PLK1THRA

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 NPC1 1389/4885RAB9A 819/4885SMN1; SMN2 2521/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B NPC1 1286/4885RAB9A 825/4885SMN1; SMN2 2406/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B NPC1 1487/4885RAB9A 904/4885SMN1; SMN2 2331/4885

“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.