SCHEMBL6403017

SCHEMBL6403017

O=C1COc2ccc(C(=O)CSCc3ccc4sccc4c3)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 7/20 0.52
PKM P14618 3/20 0.50
RXFP1 Q9HBX9 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PTGES O14684 1/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6405029 0.76 TP53 (0.38) ALDH1A1MAPTTSHRMAPK1
SCHEMBL6606259 0.75 CTNNB1 (0.46) MAPT
SCHEMBL4264178 0.70 ALDH1A1 (0.75) ALDH1A1MAPTPKMRXFP1L3MBTL1
SCHEMBL29550875 0.70 ALDH1A1 (1.00) ALDH1A1MAPTPKMRXFP1KDM4E
SCHEMBL532500 0.70 ALDH1A1 (1.00) ALDH1A1MAPTPKMRXFP1KDM4E
SCHEMBL10652999 0.70 MAPT (0.78) ALDH1A1MAPTPKMRXFP1KDM4E
SCHEMBL4291442 0.70 ALDH1A1 (0.75) ALDH1A1MAPTPKMRXFP1KDM4E
SCHEMBL4293569 0.70 ALDH1A1 (0.60) ALDH1A1MAPTPKMRXFP1L3MBTL1
SCHEMBL4724873 0.69 ALDH1A1 (0.73) ALDH1A1MAPTPKMRXFP1KDM4E
Hydrochloric Acid SCHEMBL4265299 0.69 ALDH1A1 (0.73) ALDH1A1MAPTPKMRXFP1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 ALDH1A1 945/4885MAPT 4864/4885PKM 4790/4885

“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.