SCHEMBL5066529

SCHEMBL5066529

CC(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(N)=O)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.47
▸ CASP3 P42574 2/20 0.45
▸ CASP2 P42575 2/20 0.45
▸ CALCRL Q16602 3/20 0.44
▸ KDM1A O60341 2/20 0.44
▸ TFPI P10646 5/20 0.42
▸ OPRM1 P35372 2/20 0.41
▸ OPRK1 P41145 2/20 0.41

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
SCHEMBL5065437 0.94 KDM1A (0.48) EPHA2KDM1ATFPIOPRM1OPRK1
SCHEMBL5065263 0.90 KDM1A (0.47) KDM1ATFPIOPRM1OPRK1
SCHEMBL10435105 0.85 EPHA2 (0.51) EPHA2CALCRLKDM1ATFPIOPRM1
SCHEMBL9807262 0.84 EPHA2 (0.61) EPHA2KDM1ATFPI
SCHEMBL30900793 0.83 CALCRL (0.47) EPHA2CALCRLKDM1A
SCHEMBL7789924 0.82 OPRM1 (0.48) EPHA2OPRM1OPRK1
SCHEMBL29628862 0.82 IL23R (0.48) EPHA2CALCRLTFPIOPRM1OPRK1
SCHEMBL9691456 0.82 EPHA2 (0.61) EPHA2CALCRLKDM1ATFPIOPRM1
SCHEMBL9551264 0.82 EPHA2 (0.60) EPHA2CALCRLKDM1ATFPIOPRM1
SCHEMBL10378610 0.81 EPHA2 (0.49) EPHA2CALCRLKDM1ATFPIOPRM1

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-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 — — US disclosed
EP-1828246-A1 MYD88 HOMODIMERIZATION INHIBITORS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2007-09-05 — — EP disclosed
WO-2006067091-A1 MYD88 HOMODIMERIZATION INHIBITORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-06-29 — — 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-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 EPHA2 1085/4885CASP3 2109/4885CASP2 962/4885

“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.

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