SCHEMBL6802684

SCHEMBL6802684

CCCCc1ccc(C(C(N)=O)[C@@H](C)OS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
S1PR2 O95136 2/20 0.39
S1PR1 P21453 2/20 0.39
KDM4E B2RXH2 1/20 0.38
RARB P10826 1/20 0.38
PLK1 P53350 1/20 0.38
S1PR3 Q99500 1/20 0.37

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
SCHEMBL6798440 0.82 GRIA4 (0.35) CA2ALDH1A1HSD17B10CA1
SCHEMBL6803238 0.79 ALDH1A1 (0.47) CA2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6802676 0.75 CA2 (0.43) CA2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6803287 0.74 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL27348663 0.74 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6798434 0.71 S1PR2 (0.46) CA2ALDH1A1HSD17B10CA12CA1
SCHEMBL7290900 0.70 ALDH1A1 (0.54) CA2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6803409 0.69 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3952158 0.69 CA2 (0.52) CA2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27937249 0.67 ALDH1A1 (0.50) CA2SMN1; SMN2NPC1RAB9AALDH1A1

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 CA2 450/4885SMN1; SMN2 2521/4885NPC1 1389/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B CA2 445/4885SMN1; SMN2 2406/4885NPC1 1286/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CA2 395/4885SMN1; SMN2 2331/4885NPC1 1487/4885

“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.