SCHEMBL2744335

SCHEMBL2744335

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H](OS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(=O)O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.40
CACNA1B Q00975 1/20 0.38
MCL1 Q07820 5/20 0.37
ELANE P08246 3/20 0.36
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
ACE P12821 1/20 0.34
P2RX7 Q99572 1/20 0.34
CTSL P07711 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 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
SCHEMBL19650261 0.86 ELANE (0.45) MCL1ELANE
SCHEMBL10221208 0.86 ELANE (0.45) MCL1ELANE
SCHEMBL15258576 0.86 ELANE (0.45) MCL1ELANE
SCHEMBL13757878 0.85 AAK1 (0.46) AAK1CACNA1BMCL1MMP2MMP9
SCHEMBL3372755 0.85 AAK1 (0.46) AAK1CACNA1BMCL1MMP2MMP9
SCHEMBL12864435 0.83 MCL1 (0.39) CACNA1BMCL1ELANEMMP2MMP9
SCHEMBL14092834 0.81
SCHEMBL8278952 0.80 MCL1 (0.45) MCL1BCL2BCL2L1
SCHEMBL18105019 0.80 MCL1 (0.45) MCL1BCL2BCL2L1
SCHEMBL3372052 0.79 ELANE (0.42) MCL1ELANEMMP2

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 AAK1 4084/4885CACNA1B 4063/4885MCL1 233/4885

“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.