SCHEMBL4172936

SCHEMBL4172936

Cn1c(-c2ccc(I)cc2)nnc1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.43
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PTGS2 P35354 6/20 0.35
NPC1 O15118 1/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL9768640 0.83 HSD11B1 (0.50) HSD11B1ALDH1A1PTGS2
SCHEMBL1544768 0.83 PTGS2 (0.47) HSD11B1ALDH1A1PTGS2
SCHEMBL919281 0.83 HSD11B1 (0.49) HSD11B1ALDH1A1PTGS2
SCHEMBL1544452 0.81 ALDH1A1 (0.43) HSD11B1ALDH1A1KDM4EHPGD
SCHEMBL11527657 0.78 HSD11B1 (0.43) HSD11B1ALDH1A1KDM4EHPGDPTGS2
SCHEMBL9224169 0.75 HSD11B1 (0.51) HSD11B1ALDH1A1HPGDHSD17B10PTGS2
SCHEMBL1999427 0.75 HSD11B1 (0.35) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1544502 0.73 PTGS2 (0.38) HSD11B1PTGS2
SCHEMBL1544862 0.73 PTGS2 (0.51) ALDH1A1PTGS2
SCHEMBL2002380 0.73 DYRK1A (0.41) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054785-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054785-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO 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-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 HSD11B1 2966/4885ALDH1A1 4175/4885KDM4E 916/4885

“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.