SCHEMBL2743892

SCHEMBL2743892

C=Cc1cccc2c1CN(C(=O)O[C@@H]1C[C@@H](C(=O)OC)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ELANE P08246 3/20 0.33
CTSL P07711 1/20 0.33
UCHL1 P09936 1/20 0.32
CYP19A1 P11511 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
CTSK P43235 1/20 0.31
CACNA1B Q00975 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL8241586 0.90 ELANE (0.40) KLK5ELANECTSLCYP19A1AAK1
SCHEMBL4407737 0.90 ELANE (0.40) KLK5ELANECTSLCYP19A1AAK1
SCHEMBL2744253 0.89 DPP8 (0.32) CYP19A1
SCHEMBL16413340 0.88 ELANE (0.43) DDB1CRBNELANECYP19A1
SCHEMBL15213290 0.88 ELANE (0.43) DDB1CRBNELANECYP19A1
Hydrochloric Acid SCHEMBL2744138 0.85 DPP8 (0.41) CYP19A1
SCHEMBL2744255 0.85 HDAC8 (0.38) KLK5DDB1CRBNELANECTSK
SCHEMBL1050056 0.85 DDB1 (0.41) DDB1CRBNUCHL1CYP19A1PRMT5
SCHEMBL882048 0.85 DDB1 (0.41) DDB1CRBNUCHL1CYP19A1PRMT5
SCHEMBL8236830 0.83 ELANE (0.36) DDB1CRBNELANEUCHL1AAK1

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-2027144-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS MSD ITALIA SRL (IT) 2015-04-29 EP disclosed
US-8178520-B2 Macrocyclic compounds as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-05-15 US disclosed
US-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-10-15 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-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L KLK5 4658/4885DDB1 1627/4885CRBN 325/4885

“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.