SCHEMBL15213290

SCHEMBL15213290

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.43
CYP3A4 P08684 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
BIRC2 Q13490 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL16413340 1.00 ELANE (0.43) ELANECYP3A4DDB1CRBNBIRC2
SCHEMBL8038460 0.90 ELANE (0.46) ELANEDDB1CRBNBIRC2
SCHEMBL15213352 0.90 ELANE (0.37) ELANECYP3A4BIRC2CYP19A1
SCHEMBL16318662 0.90 ELANE (0.37) ELANECYP3A4BIRC2CYP19A1
SCHEMBL12726041 0.89 ELANE (0.46) ELANECYP3A4DDB1CRBNBIRC2
SCHEMBL4408069 0.89 ELANE (0.52) ELANEBIRC2
SCHEMBL13594509 0.89 ELANE (0.52) ELANEBIRC2
SCHEMBL2743892 0.88 KLK5 (0.34) ELANEDDB1CRBNCYP19A1
SCHEMBL3244648 0.88 ELANE (0.35) ELANEBIRC2CYP19A1
SCHEMBL2744255 0.88 HDAC8 (0.38) ELANEDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
US-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS GINKGO PHARMA CO., LTD. (CN) 2015-01-29 US disclosed
US-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS GINKGO PHARMA CO., LTD. (CN) 2015-01-29 US disclosed
EP-2816054-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS GINKGO PHARMA CO., LTD. (CN) 2014-12-24 EP disclosed
WO-2013120371-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS 银杏树药业(苏州)有限公司 (CN) 2013-08-22 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-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS HCCS, HAVCR2, EIF2AK2 ELANE 641/4885CYP3A4 469/4885DDB1 1556/4885

“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.