SCHEMBL948274

SCHEMBL948274

CC(C)(C)OC(=O)CCS(=O)(=O)c1[nH]c2ccc(Cl)cc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.40
CNR1 P21554 3/20 0.39
MAP2 P11137 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 7/20 0.37
NR1H3 Q13133 7/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 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
SCHEMBL948490 0.90 CNR1 (0.47) SIRT1CNR1MAP2ALDH1A1CYP1A2
SCHEMBL947844 0.78 SMN1; SMN2 (0.41) SIRT1CNR1
SCHEMBL950930 0.76 SIRT1 (0.41) SIRT1CNR1MAP2ALDH1A1CYP1A2
SCHEMBL7874061 0.73 ALDH1A1 (0.58) ALDH1A1
SCHEMBL6692654 0.71 ALOX5 (0.42) SIRT1ALDH1A1CYP1A2HPGDXBP1
SCHEMBL7012079 0.70 ALDH1A1 (0.34) ALDH1A1HPGDXBP1MCL1
SCHEMBL7016102 0.70 MEN1 (0.36) ALDH1A1HPGDXBP1MCL1
SCHEMBL948288 0.70 SIRT1 (0.44) SIRT1CNR1MAP2ALDH1A1CYP1A2
SCHEMBL7012084 0.69 CA2 (0.40) ALDH1A1
SCHEMBL949445 0.68 PHGDH (0.41) ALDH1A1

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 SIRT1 970/4885CNR1 28/4885MAP2 2385/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 SIRT1 830/4885CNR1 61/4885MAP2 2473/4885

“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.