SCHEMBL5780574

SCHEMBL5780574

CCOCOCc1ccc2c(c1S(C)(=O)=O)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.38
PTGS2 P35354 3/20 0.35
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
MAOB P27338 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGAM O43451 1/20 0.31
AMY1A P0DUB6 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP3A4 P08684 2/20 0.31
BAD Q92934 2/20 0.31
EPHB4 P54760 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL5779522 0.76 PTGS2 (0.43) AOC3PTGS2MAPTMAOBBAD
SCHEMBL5778255 0.76 PTGS2 (0.40) AOC3PTGS2MAPTMAOBBAD
SCHEMBL5780889 0.76 AOC3 (0.36) AOC3HPGDHSD17B10HTTRAB9A
SCHEMBL28748021 0.73 PTGS2 (0.39) AOC3PTGS2MAPTMAOBBAD
Bromide SCHEMBL5783254 0.68 PTGS2 (0.37) PTGS2HPGDMAPTMAOBCYP3A4
SCHEMBL5780041 0.67 CYP3A4 (0.56) HPGDHSD17B10MAPTRAB9ASMN1; SMN2
SCHEMBL21363800 0.67 CDK4 (0.43) AOC3PTGS2HPGDMAPTHTT
SCHEMBL14370481 0.64 AOC3 (0.42) AOC3HPGDHSD17B10MAPT
SCHEMBL24986410 0.61 POLB (0.44) AOC3HPGDCYP3A4CYP1A2CYP2D6
SCHEMBL6184460 0.61 MTNR1A (0.38) AOC3PTGS2HPGDMAPTMAOB

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
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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 (1 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 AOC3 3040/4885PTGS2 1830/4885HPGD 589/4885

“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.