SCHEMBL5779522

SCHEMBL5779522

CS(=O)(=O)c1c(CO)ccc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
BAD Q92934 3/20 0.41
MAOB P27338 1/20 0.39
AOC3 Q16853 4/20 0.39
PTGS1 P23219 1/20 0.37
EPHB4 P54760 4/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5778255 0.84 PTGS2 (0.40) PTGS2BADMAOBAOC3PTGS1
SCHEMBL28748021 0.81 PTGS2 (0.39) PTGS2BADMAOBAOC3PTGS1
SCHEMBL5780574 0.76 AOC3 (0.38) PTGS2BADMAOBAOC3PTGS1
Bromide SCHEMBL5783254 0.75 PTGS2 (0.37) PTGS2BADMAOBPTGS1EPHB4
SCHEMBL6027214 0.74 PRKACA (0.41) BADMAOBAOC3
SCHEMBL29707155 0.73 AOC3 (0.42) PTGS2BADAOC3
SCHEMBL232439 0.72 AOC3 (0.49) BADAOC3
SCHEMBL25165979 0.70 AOC3 (0.44) BADMAOBAOC3
SCHEMBL6184460 0.70 MTNR1A (0.38) PTGS2MAOBAOC3MAPTMEN1
SCHEMBL10430644 0.70 POLB (0.48) BADAOC3KMT2A

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 5 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
CN-1395575-A Novel piperidine compounds and drugs containing the same EISAI CO LTD (JP) 2003-02-05 CN 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 PTGS2 1830/4885BAD 1179/4885MAOB 2159/4885

“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.