SCHEMBL20594841

SCHEMBL20594841

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(I)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 14/20 0.68
CXCR3 P49682 2/20 0.64
PTGES O14684 1/20 0.64
TAS2R8 Q9NYW2 1/20 0.64
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
APLNR P35414 1/20 0.59
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL7365048 0.85 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL1888996 0.85 TAS2R14 (0.81) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL22501451 0.85 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL2109904 0.85 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL2445958 0.84 TAS2R14 (0.82) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL28729777 0.84 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL24724004 0.81 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL1279372 0.81 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL1278960 0.81 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL12260289 0.81 TAS2R14 (0.67) TAS2R14CXCR3PTGESTAS2R8CNR1

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
EP-3642195-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2020-04-29 EP disclosed
US-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof NOVARTIS AG (CH) 2020-03-31 US disclosed
US-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof NOVARTIS AG (CH) 2020-03-31 US disclosed
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-01-24 US disclosed
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-01-24 US disclosed
WO-2018234978-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2018-12-27 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 (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-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof KDM1A, KDM5A, KDM1B TAS2R14 4537/4885CXCR3 2730/4885PTGES 3831/4885
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF KDM1A, KDM5A, KDM1B TAS2R14 4537/4885CXCR3 2730/4885PTGES 3831/4885

“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.