SCHEMBL6802942

SCHEMBL6802942

CCCCCCCCCCCCC[C@H](N)CC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.52
S1PR1 P21453 6/20 0.52
S1PR3 Q99500 5/20 0.52
S1PR4 O95977 4/20 0.52
ALDH1A1 P00352 1/20 0.48
GPR84 Q9NQS5 7/20 0.47
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
LAP3 P28838 1/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
SPHK1 Q9NYA1 1/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL28617729 1.00 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL8186793 1.00 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4ALDH1A1
Hydrochloric Acid SCHEMBL6802283 0.98 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4ALDH1A1
Hydrochloric Acid SCHEMBL6797823 0.98 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4ALDH1A1
Hydrochloric Acid SCHEMBL6807996 0.98 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL6807748 0.91 CA2 (0.48) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL7860013 0.91 CA2 (0.48) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL29100430 0.89 FAAH (0.61) S1PR2S1PR1S1PR3S1PR4
SCHEMBL4902507 0.89 CA2 (0.47) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL10967692 0.83 ALDH1A1 (0.63) S1PR2S1PR1S1PR3S1PR4ALDH1A1

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 10 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
US-6110933-A AN ENZYME INHIBITOR TREATING PANCREATITIS, HEPATITIS, CHRONIC RENAL FAILURE, ENDOTOXIN SHOCK, GRAM-NEGATIVE SEPTIC SHOCK, ARTHRITIS, RESPIRATORY DISEASE, HEART DISEASE, ALLERGIC DISEASE, THROMBOSIS, ARTERIOSCLEROSIS, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-29 US disclosed
EP-0741697-B1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 1999-09-15 EP 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
EP-0741697-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed
WO-1995019959-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-27 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 S1PR2 282/4885S1PR1 355/4885S1PR3 320/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B S1PR2 240/4885S1PR1 252/4885S1PR3 251/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B S1PR2 227/4885S1PR1 307/4885S1PR3 263/4885

“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.