SCHEMBL4986538

SCHEMBL4986538

CS(=O)(=O)Nc1ccc(CC#N)c2ccoc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
GLO1 Q04760 1/20 0.33
KEAP1 Q14145 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
NEU3 Q9UQ49 1/20 0.31
SLC22A12 Q96S37 2/20 0.30
PARP14 Q460N5 1/20 0.30

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
SCHEMBL4992303 0.82 EP300 (0.42) EP300KAT2BKAT8GLO1KEAP1
SCHEMBL4995428 0.71 SLC22A12 (0.38) EP300KAT2BKAT8GLO1KEAP1
SCHEMBL9688943 0.71 JAK2 (0.46) EP300KAT2BKAT8SLC22A12PARP14
SCHEMBL4987405 0.71 ADRA1A (0.41)
SCHEMBL2564270 0.70 KEAP1 (0.38) EP300KAT2BKAT8KEAP1
SCHEMBL2261006 0.70 RXFP1 (0.39) KDM4EHPGDHSD17B10ESR2
SCHEMBL4624216 0.70 KEAP1 (0.46) EP300KAT2BKAT8KEAP1KDM4E
SCHEMBL12304314 0.69 ALDH1A1 (0.32) EP300KAT2BKAT8KEAP1SLC22A12
SCHEMBL2387578 0.69 TRPV1 (0.33) EP300KAT2BKAT8KEAP1KDM4E
SCHEMBL14092111 0.69 NR3C1 (0.39) KEAP1KDM4EHPGDSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
EP-1501817-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC 2004-10-28 US disclosed
US-6756395-B2 CYCLIZATION OF N-(4-CYANOMETHYLPHENYL)METHANESULFONAMIDES WITH ETHYLENEDIAMINE TO FORM N-(4-IMIDAZOL-2-YLMETHYL)-PHENYL) -METHANESULFONAMIDES; INCONTINENCE, SEXUAL DYSFUNCTION, NASAL CONGESTION, AND CNS DISORDERS; ALPHA 1 ADRENERGIC AGONISTS ROCHE PALO ALTO LLC 2004-06-29 US disclosed
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES ROCHE PALO ALTO LLC. 2003-12-11 US disclosed
WO-2003091236-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 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-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides RPS6KA1, RPS6KB1, RPS6KA6 EP300 1605/4885KAT2B 2155/4885KAT8 2698/4885
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES RPS6KA1, RPS6KB1, RPS6KA6 EP300 1605/4885KAT2B 2155/4885KAT8 2698/4885

“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.