SCHEMBL949445

SCHEMBL949445

Cn1c(S(=O)(=O)CCC(=O)OC(C)(C)C)cc2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 6/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
PPARD Q03181 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACLY P53396 1/20 0.35
KMO O15229 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
AHR P35869 1/20 0.34

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
SCHEMBL948753 0.83 KMO (0.47) PHGDHRXFP1MAPTPPARGPPARA
SCHEMBL7015590 0.78 F10 (0.47) MEN1KMT2AAHR
SCHEMBL947189 0.78 NR1H2 (0.42) PPARGPPARAPPARDACLYKMO
SCHEMBL948715 0.76 MEN1 (0.35) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL949002 0.76 RXFP1 (0.39) PHGDHRXFP1GABRA1GABRG2GABRB3
SCHEMBL7012084 0.74 CA2 (0.40) MAPTPPARAMEN1KMT2AALDH1A1
SCHEMBL947844 0.74 SMN1; SMN2 (0.41) KMT2A
SCHEMBL7874061 0.73 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7012079 0.73 ALDH1A1 (0.34) PHGDHMAPTMEN1KMT2AALDH1A1
SCHEMBL7016102 0.73 MEN1 (0.36) MAPTMEN1KMT2AALDH1A1GAA

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 PHGDH 2759/4885RXFP1 1056/4885MAPT 4771/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 PHGDH 2626/4885RXFP1 1383/4885MAPT 4800/4885

“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.