SCHEMBL6796677

SCHEMBL6796677

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ACACB O00763 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.36
AURKA O14965 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL27347413 0.88 LOXL2 (0.38) SIGMAR1
SCHEMBL6803279 0.86 SIGMAR1 (0.45) HPGDSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL8553953 0.86 SIGMAR1 (0.45) HPGDSIGMAR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3059803 0.85 SIGMAR1 (0.51) SIGMAR1MAPK1
SCHEMBL6802210 0.81 AKR1C3 (0.42) SIGMAR1
SCHEMBL6801926 0.80 SIGMAR1 (0.48) HPGDSIGMAR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6802810 0.80 HTR2A (0.46) NR3C1PGRNR3C2SIGMAR1
SCHEMBL6800799 0.78 SIGMAR1 (0.49) SIGMAR1
SCHEMBL14672759 0.74 CYP2C19 (0.44) ACACBCYP2C19GAAMAPK1ALDH1A1
SCHEMBL3790429 0.74 SIGMAR1 (0.50) SIGMAR1MAPK1

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 HPGD 592/4885NR3C1 1923/4885PGR 2914/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B HPGD 677/4885NR3C1 1469/4885PGR 2783/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B HPGD 661/4885NR3C1 1711/4885PGR 2961/4885

“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.