SCHEMBL5780889

SCHEMBL5780889

CCOCOCc1ccc2c(c1SC)OCO2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE5A O76074 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MGAM O43451 1/20 0.30
AMY1A P0DUB6 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL5780574 0.76 AOC3 (0.38) AOC3HPGDHSD17B10HTTRAB9A
SCHEMBL5469033 0.70 SLC6A4 (0.49)
SCHEMBL5780041 0.69 CYP3A4 (0.56) HPGDHSD17B10RAB9ASMN1; SMN2CYP3A4
SCHEMBL21363787 0.65 CDK4 (0.42) AOC3HTTRAB9ASMN1; SMN2PDE5A
SCHEMBL6186035 0.63 ALDH1A1 (0.41) AOC3HPGDRAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6183669 0.62 ALDH1A1 (0.40) AOC3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6183667 0.62 AOC3 (0.39) AOC3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL24986410 0.60 POLB (0.44) AOC3HPGDALDH1A1CYP3A4
SCHEMBL6686696 0.60 CYP3A4 (0.61) HPGDHSD17B10RAB9ASMN1; SMN2CYP3A4
SCHEMBL12352181 0.59 ALDH1A1 (0.44) HPGDHTTRAB9AALDH1A1CYP3A4

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 3040/4885HPGD 589/4885HSD17B10 1379/4885

“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.