SCHEMBL948490

SCHEMBL948490

Cc1c(S(=O)(=O)CCC(=O)OC(C)(C)C)[nH]c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.47
SIRT1 Q96EB6 3/20 0.44
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
XBP1 P17861 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAP2 P11137 3/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL948274 0.90 SIRT1 (0.40) CNR1SIRT1ALDH1A1CYP1A2HPGD
SCHEMBL947844 0.77 SMN1; SMN2 (0.41) CNR1SIRT1KMT2ASMN1; SMN2
SCHEMBL948288 0.76 SIRT1 (0.44) CNR1SIRT1ALDH1A1CYP1A2HPGD
SCHEMBL7874061 0.73 ALDH1A1 (0.58) ALDH1A1LMNAGAAMEN1MAPT
SCHEMBL7012079 0.72 ALDH1A1 (0.34) ALDH1A1HPGDXBP1LMNAGAA
SCHEMBL6692654 0.71 ALOX5 (0.42) SIRT1ALDH1A1CYP1A2HPGDXBP1
SCHEMBL950930 0.70 SIRT1 (0.41) CNR1SIRT1ALDH1A1CYP1A2HPGD
SCHEMBL7012084 0.70 CA2 (0.40) ALDH1A1LMNAGAAMEN1MAPT
SCHEMBL7016102 0.70 MEN1 (0.36) ALDH1A1HPGDXBP1LMNAGAA
SCHEMBL949445 0.67 PHGDH (0.41) ALDH1A1GAAMEN1MAPTKMT2A

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 CNR1 28/4885SIRT1 970/4885ALDH1A1 2246/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CNR1 61/4885SIRT1 830/4885ALDH1A1 2316/4885

“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.