SCHEMBL6495440

SCHEMBL6495440

CS(=O)(=O)OCCCC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NAAA Q02083 1/20 0.35
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR5 Q9H228 1/20 0.31
CYP1A2 P05177 1/20 0.31
TLR7 Q9NYK1 2/20 0.31
DAO P14920 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL2075658 0.89 KDM4E (0.41) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL11252152 0.87 TSHR (0.58) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2766625 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2766649 0.81 KDM4E (0.52) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7220330 0.81 TSHR (0.62) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2199583 0.80 KDM4E (0.42) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL3406659 0.79 GPR119 (0.44) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2196345 0.79 KDM4E (0.39) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL774435 0.79 KDM4E (0.39) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL1691179 0.79 KDM4E (0.39) ALDH1A1KDM4EUSP2LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR ALDH1A1 1851/4885KDM4E 2367/4885USP2 4219/4885

“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.