SCHEMBL951936

SCHEMBL951936

CCOC(=O)CCCS(=O)(=O)C=Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MAOB P27338 1/20 0.40
NFE2L2 Q16236 2/20 0.40
HTT P42858 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PPARG P37231 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CXCR3 P49682 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
CYP4F11 Q9HBI6 1/20 0.38
CYP4F12 Q9HCS2 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL951935 1.00 ALDH1A1 (0.41) ALDH1A1GAAMAOBNFE2L2HTT
SCHEMBL949082 0.82 GAA (0.47) ALDH1A1GAAMAOBNFE2L2POLB
SCHEMBL949084 0.82 GAA (0.47) ALDH1A1GAAMAOBNFE2L2POLB
SCHEMBL948030 0.76 CYP1A2 (0.44) GAAMAOBNFE2L2PPARGLMNA
SCHEMBL948029 0.76 CYP1A2 (0.44) GAAMAOBNFE2L2PPARGLMNA
SCHEMBL10384261 0.76 ALDH1A1 (0.57) ALDH1A1MAOBHTTPTGS2KDM4E
SCHEMBL28308489 0.74 MAOB (0.48) ALDH1A1MAOBHTTPTGS2KDM4E
SCHEMBL2743413 0.73 KMT2A (0.54) ALDH1A1HTTMAPTHPGDSMN1; SMN2
SCHEMBL10950721 0.73 KMT2A (0.54) ALDH1A1HTTMAPTHPGDSMN1; SMN2
SCHEMBL7870795 0.72 ALDH1A1 (0.71) ALDH1A1GAAHTTKDM4EPOLB

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 ALDH1A1 2246/4885GAA 4808/4885MAOB 254/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885GAA 4834/4885MAOB 324/4885

“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.