SCHEMBL6800799

SCHEMBL6800799

CCCCCCCc1ccc(C[C@@H](CC(N)=O)NCCCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
S1PR1 P21453 7/20 0.48
S1PR2 O95136 6/20 0.48
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
SPHK1 Q9NYA1 8/20 0.45
S1PR3 Q99500 6/20 0.44
S1PR4 O95977 3/20 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
SCHEMBL6801926 0.95 SIGMAR1 (0.48) SIGMAR1S1PR1S1PR2THRATHRB
SCHEMBL6803279 0.89 SIGMAR1 (0.45) SIGMAR1S1PR1S1PR2THRATHRB
SCHEMBL8553953 0.89 SIGMAR1 (0.45) SIGMAR1S1PR1S1PR2THRATHRB
SCHEMBL6802005 0.80 KDM4E (0.42) SIGMAR1
SCHEMBL27529199 0.79 S1PR1 (0.61) S1PR1S1PR2THRATHRBSPHK1
SCHEMBL6807963 0.79 S1PR2 (0.54) S1PR1S1PR2THRATHRBSPHK1
SCHEMBL6801564 0.79 S1PR2 (0.54) S1PR1S1PR2THRATHRBSPHK1
SCHEMBL6803100 0.79 SIGMAR1 (0.46) SIGMAR1
SCHEMBL6796677 0.78 HPGD (0.40) SIGMAR1
Hydrochloric Acid SCHEMBL6803661 0.78 S1PR1 (0.59) S1PR1S1PR2THRATHRBSPHK1

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 2194/4885S1PR1 355/4885S1PR2 282/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B SIGMAR1 1749/4885S1PR1 252/4885S1PR2 240/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B SIGMAR1 1951/4885S1PR1 307/4885S1PR2 227/4885

“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.