SCHEMBL15213304

SCHEMBL15213304

C=Cc1cc2c(O[C@@H]3C[C@@H](C(=O)OC)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3)nccc2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
ELANE P08246 11/20 0.37
CTSB P07858 2/20 0.36
PPP3CB P16298 1/20 0.36
IRAK4 Q9NWZ3 2/20 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
SCHEMBL16318497 1.00 CYP3A4 (0.55) CYP3A4ELANECTSBPPP3CBIRAK4
SCHEMBL16318495 1.00 CYP3A4 (0.55) CYP3A4ELANECTSBPPP3CBIRAK4
SCHEMBL16318585 0.90 CYP3A4 (0.49) CYP3A4ELANECTSBPPP3CBIRAK4
SCHEMBL15213305 0.90 CYP3A4 (0.49) CYP3A4ELANECTSBPPP3CBIRAK4
SCHEMBL16318584 0.90 CYP3A4 (0.49) CYP3A4ELANECTSBPPP3CBIRAK4
SCHEMBL16318484 0.87 CYP3A4 (0.41) CYP3A4CTSBIRAK4
SCHEMBL16318483 0.87 CYP3A4 (0.41) CYP3A4CTSBIRAK4
SCHEMBL3375479 0.86 CYP3A4 (0.65) CYP3A4ELANECTSB
SCHEMBL1074488 0.81 CYP3A4 (0.40) CYP3A4IRAK4
SCHEMBL1074490 0.81 CYP3A4 (0.40) CYP3A4IRAK4

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 7 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
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 CYP3A4 469/4885ELANE 641/4885CTSB 114/4885

“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.