SCHEMBL6803400

SCHEMBL6803400

CCCCc1ccc(C[C@@H](O)CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.59
S1PR1 P21453 3/20 0.59
S1PR4 O95977 2/20 0.59
S1PR3 Q99500 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RARB P10826 1/20 0.50
TRPA1 O75762 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP12 P39900 2/20 0.47
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
GPR84 Q9NQS5 4/20 0.47
TRPV1 Q8NER1 1/20 0.47
PLK1 P53350 1/20 0.46

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
SCHEMBL6799056 0.94 S1PR1 (0.68) S1PR2S1PR1S1PR4S1PR3ALDH1A1
SCHEMBL6799751 0.94 S1PR1 (0.68) S1PR2S1PR1S1PR4S1PR3ALDH1A1
SCHEMBL6803232 0.85 ALDH1A1 (0.49) S1PR2S1PR1S1PR4S1PR3ALDH1A1
SCHEMBL11825855 0.82 ALDH1A1 (0.62) S1PR2S1PR1S1PR4S1PR3ALDH1A1
SCHEMBL6801564 0.80 S1PR2 (0.54) S1PR2S1PR1S1PR4S1PR3ALDH1A1
SCHEMBL6807963 0.80 S1PR2 (0.54) S1PR2S1PR1S1PR4S1PR3ALDH1A1
SCHEMBL6463393 0.79 KMT2A (0.49) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL6803856 0.79 KMT2A (0.49) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL1206307 0.78 ALDH1A1 (0.71) S1PR2S1PR1S1PR3ALDH1A1HPGD
SCHEMBL11837356 0.78 ALDH1A1 (0.63) S1PR2S1PR1S1PR4S1PR3ALDH1A1

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 355/4885S1PR4 319/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B S1PR2 240/4885S1PR1 252/4885S1PR4 261/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B S1PR2 227/4885S1PR1 307/4885S1PR4 276/4885

“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.