SCHEMBL4618461

SCHEMBL4618461

O=C(O)N1CC[C@H](NC(=O)n2ccnc2)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 8/20 0.38
KDM5B Q9UGL1 4/20 0.37
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
EPHX1 P07099 1/20 0.35
USP30 Q70CQ3 3/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL6103827 1.00 KDM5A (0.38) KDM5AKDM5BFAAHMGLLEPHX1
SCHEMBL6102108 0.92 KMT2A (0.39) KDM5BFAAHMGLL
SCHEMBL4618043 0.92 KMT2A (0.39) KDM5BFAAHMGLL
SCHEMBL2888808 0.92 EPHX1 (0.39) FAAHMGLLEPHX1CYP46A1
SCHEMBL27786049 0.81 FAAH (0.43) KDM5AKDM5BFAAHMGLLITGB3
SCHEMBL1934143 0.80 CD38 (0.39)
SCHEMBL11878058 0.77 CD38 (0.46) EPHX1
SCHEMBL1425379 0.77 CD38 (0.43) EPHX1
SCHEMBL4796529 0.76 EPHX1 (0.55) EPHX1USP30
SCHEMBL10969412 0.76 HTT (0.47) EPHX1

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
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 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-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 KDM5A 2185/4885KDM5B 2532/4885FAAH 3198/4885

“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.