SCHEMBL8227044

SCHEMBL8227044

COC(=O)[C@@H]1C[C@@H](Oc2nccc3ccc(Br)cc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MCL1 Q07820 6/20 0.37
UCHL1 P09936 1/20 0.37
CYP3A4 P08684 1/20 0.36
PIK3CD O00329 3/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTPN1 P18031 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
BCL2 P10415 3/20 0.35
BCL2L1 Q07817 3/20 0.35
USP30 Q70CQ3 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL16418964 1.00 P2RX3 (0.42) P2RX3CCNT1CDK9MCL1UCHL1
SCHEMBL13433609 0.91 MCL1 (0.38) MCL1UCHL1CYP3A4PIK3CDPIK3CA
SCHEMBL12851371 0.91 P2RX3 (0.39) P2RX3MCL1UCHL1PIK3CDBCL2
SCHEMBL16418969 0.88 P2RX3 (0.41) P2RX3CCNT1CDK9MCL1UCHL1
SCHEMBL16318728 0.87 CCNT1 (0.42) P2RX3CCNT1CDK9UCHL1CYP3A4
SCHEMBL8226962 0.87 P2RX3 (0.40) P2RX3CCNT1CDK9UCHL1CYP3A4
SCHEMBL16418963 0.87 P2RX3 (0.40) P2RX3CCNT1CDK9UCHL1CYP3A4
SCHEMBL16318729 0.87 CCNT1 (0.42) P2RX3CCNT1CDK9UCHL1CYP3A4
SCHEMBL8246884 0.86 PIK3CD (0.49) P2RX3MCL1PIK3CDPIK3CAPIK3CB
SCHEMBL8134019 0.84 CYP3A4 (0.49) P2RX3CCNT1CDK9MCL1UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 P2RX3 2817/4885CCNT1 87/4885CDK9 694/4885

“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.