SCHEMBL6166793

SCHEMBL6166793

Cc1ccc(S(=O)(=O)n2cc(C=Cc3cccnc3)c3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
UBE2N P61088 1/20 0.63
CA2 P00918 6/20 0.62
CA9 Q16790 6/20 0.62
L3MBTL1 Q9Y468 1/20 0.50
CYP19A1 P11511 2/20 0.49
HTR6 P50406 6/20 0.47
KLK7 P49862 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL6166787 1.00 KDM4E (0.63) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL2606558 0.78 KDM4E (0.58) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL946372 0.78 KDM4E (1.00) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL29694480 0.78 KDM4E (1.00) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL28207045 0.77 KDM4E (0.64) KDM4EUBE2NCA2CA9HTR6
SCHEMBL16291995 0.76 KDM4E (0.80) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL31262899 0.76 KDM4E (0.80) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL7828914 0.76 CA2 (0.71) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL11909017 0.76 CA2 (0.71) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL7828911 0.76 CA2 (0.71) KDM4EUBE2NCA2CA9L3MBTL1

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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT KDM4E 2486/4885UBE2N 1297/4885CA2 2202/4885

“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.