SCHEMBL14756776

SCHEMBL14756776

CC(C)/C=N\NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ CASP3 P42574 4/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ FABP5 Q01469 2/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 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
SCHEMBL9715037 0.81 KMT2A (0.46) KMT2ACASP3EPHX2FABP5FABP7
SCHEMBL15893669 0.81 KMT2A (0.50) KMT2ACASP3EPHX2FABP5FABP7
SCHEMBL16724665 0.79 KMT2A (0.48) KMT2ACASP3EPHX2
SCHEMBL2625076 0.78 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL8451314 0.77 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL13452269 0.76 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL3269193 0.76 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL5021152 0.76 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31068390 0.76 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29952701 0.76 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141324-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2015-05-21 — — US disclosed
US-20140206622-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2014-07-24 — — US disclosed
WO-2013029180-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2013-03-07 — — WO disclosed
WO-2013029182-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2013-03-07 — — 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-20150141324-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS FURIN, PREP, VIP KMT2A 3976/4885CASP3 644/4885EPHX2 2865/4885
US-20140206622-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS FURIN, DNPEP, PRAP1 KMT2A 3612/4885CASP3 1817/4885EPHX2 4687/4885

“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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