SCHEMBL6167610

SCHEMBL6167610

Cc1ccc(S(=O)(=O)n2cc(CCc3cccnc3)c3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.65
CYP19A1 P11511 1/20 0.60
ALK Q9UM73 1/20 0.55
KDM4E B2RXH2 1/20 0.51
UBE2N P61088 1/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1F P30939 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8804408 0.80 HTR6 (0.67) HTR6CYP19A1ALKKDM4EUBE2N
SCHEMBL16375238 0.80 HTR6 (0.79) HTR6CYP19A1ALKKDM4EUBE2N
SCHEMBL15250049 0.79 HTR6 (1.00) HTR6ALK
SCHEMBL27936448 0.79 HTR6 (0.77) HTR6CYP19A1ALKKDM4EUBE2N
SCHEMBL945595 0.79 HTR6 (0.72) HTR6CYP19A1ALKKDM4EUBE2N
SCHEMBL946516 0.77 HTR6 (0.74) HTR6CYP19A1ALKKDM4EUBE2N
SCHEMBL31366254 0.77 HTR6 (0.73) HTR6CYP19A1ALKKDM4EUBE2N
SCHEMBL28244706 0.77 HTR6 (0.73) HTR6CYP19A1ALKKDM4EUBE2N
SCHEMBL9239085 0.77 HTR6 (0.86) HTR6CYP19A1ALKKDM4EUBE2N
SCHEMBL8802958 0.77 HTR6 (0.73) HTR6ALKHTR1ADRD2HTR1D

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 HTR6 666/4885CYP19A1 1151/4885ALK 929/4885

“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.