SCHEMBL793015

SCHEMBL793015

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.62
PTPN1 P18031 3/20 0.60
HDAC8 Q9BY41 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
CTSS P25774 3/20 0.54
CTSK P43235 2/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
REN P00797 1/20 0.53
PPARA Q07869 1/20 0.53
PSMB1 P20618 1/20 0.53
PSMB8 P28062 1/20 0.53
PSMB9 P28065 1/20 0.53
PSMB5 P28074 1/20 0.53
PPARG P37231 2/20 0.53
ACE P12821 1/20 0.52
YAP1 P46937 1/20 0.52
MCL1 Q07820 1/20 0.51
PSMB10 P40306 1/20 0.51

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
SCHEMBL792956 0.91 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL6473855 0.90 CTSS (0.64) CTSSCTSKCTSLCTSBREN
SCHEMBL2174152 0.90 CTSS (0.64) CTSSCTSKCTSLCTSBREN
SCHEMBL193473 0.89 PTPN1 (0.73) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL2891538 0.89 PTPN1 (0.73) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL193474 0.89 PTPN1 (0.73) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL9752770 0.87 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL3350988 0.87 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL3500186 0.87 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL9752771 0.87 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B

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
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 BCL2 3606/4885PTPN1 319/4885HDAC8 380/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BCL2 3606/4885PTPN1 319/4885HDAC8 380/4885

“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.