SCHEMBL7102610

SCHEMBL7102610

CS(=O)(=O)Nc1cccc2c1CCCC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 1/20 0.47
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
PTGS2 P35354 3/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
GLO1 Q04760 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PARP14 Q460N5 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7555603 0.92 BRD4 (0.42) KEAP1NFE2L2ADRB2ADRB1ADRB3
SCHEMBL9324317 0.78 KEAP1 (0.46) KEAP1NFE2L2ADRA1APTGS2ALOX15
SCHEMBL5886479 0.76 BRD4 (0.44) ADRB2ADRB1ADRB3CYP2A6MAOA
SCHEMBL18992169 0.75 KDM4E (0.48) KEAP1NFE2L2ADRA2APTGS2ALOX15
SCHEMBL4815048 0.75 ADRA2A (0.46) ADRA2AADRA1AHTTHPGDALDH1A1
SCHEMBL7098664 0.75 BRD4 (0.43) KEAP1NFE2L2PTGS2KDM4EHPGD
SCHEMBL5582807 0.75 NPC1 (0.54) ADRB2ADRB1ADRB3ADRA2AKDM4E
SCHEMBL28041457 0.73 MAOA (0.56) ADRB2ADRB1ADRB3KDM4EHSD17B10
SCHEMBL7098540 0.73 BRD4 (0.40) KEAP1NFE2L2ADRA2AADRA1APTGS2
SCHEMBL28164407 0.73 KEAP1 (0.45) KEAP1NFE2L2ADRA2AADRA1AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A KEAP1 3759/4885NFE2L2 2545/4885ADRB2 9/4885

“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.