SCHEMBL6807963

SCHEMBL6807963

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.54
S1PR1 P21453 3/20 0.54
S1PR3 Q99500 2/20 0.52
S1PR4 O95977 1/20 0.52
PPARA Q07869 1/20 0.49
SPHK1 Q9NYA1 5/20 0.49
ALDH1A1 P00352 3/20 0.49
ESR1 P03372 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSPD1 P10809 1/20 0.49

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
SCHEMBL6801564 1.00 S1PR2 (0.54) S1PR2S1PR1S1PR3S1PR4PPARA
SCHEMBL6803232 0.94 ALDH1A1 (0.49) S1PR2S1PR1S1PR3S1PR4PPARA
SCHEMBL6799056 0.86 S1PR1 (0.68) S1PR2S1PR1S1PR3S1PR4PPARA
SCHEMBL6799751 0.86 S1PR1 (0.68) S1PR2S1PR1S1PR3S1PR4PPARA
SCHEMBL27529199 0.85 S1PR1 (0.61) S1PR2S1PR1S1PR3S1PR4SPHK1
Hydrochloric Acid SCHEMBL6803661 0.84 S1PR1 (0.59) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL6228688 0.82 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PPARA
SCHEMBL6803400 0.80 S1PR2 (0.59) S1PR2S1PR1S1PR3S1PR4PPARA
SCHEMBL6800799 0.79 SIGMAR1 (0.49) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL25711834 0.79 FAAH (0.65) S1PR2S1PR1S1PR3ALDH1A1ESR1

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 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.