SCHEMBL2429307

SCHEMBL2429307

C=CCCCCN[C@H](C(=O)N1C[C@H](OCc2cccc(-c3cccc(C=C)c3)c2)C[C@H]1C(=O)OC)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
XIAP P98170 3/20 0.33
BIRC3 Q13489 3/20 0.33
BIRC2 Q13490 3/20 0.33
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
AGTR2 P50052 3/20 0.31
MC4R P32245 2/20 0.31
MC3R P41968 2/20 0.31
MC1R Q01726 2/20 0.31
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL2431251 0.91 ABCB1 (0.34) ABCB1XIAPBIRC3BIRC2AKT1
SCHEMBL2427392 0.87 F2 (0.35) ABCB1AGTR2MC4RMC3RMC1R
SCHEMBL8230204 0.81 F2 (0.34) AGTR2MC4RMC3RMC1RMMP2
SCHEMBL4303372 0.79 AGTR2 (0.36) ABCB1AGTR2MC4RMC3RMC1R
SCHEMBL8228152 0.78 CYP3A4 (0.38) AGTR2MC4RMC3RMC1RPRMT3
Hydrochloric Acid SCHEMBL2429662 0.77 CYP3A4 (0.38) AGTR2MC4RMC3RMC1RPRMT3
SCHEMBL2426240 0.77 KLK5 (0.40) ABCB1XIAPBIRC3BIRC2
SCHEMBL3310386 0.76 ACE (0.35) ABCB1MC4RMC3RMC1R
SCHEMBL13395474 0.75 NR1H2 (0.42) ABCB1MMP2ANPEP
SCHEMBL13864540 0.73 CYP3A4 (0.35)

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-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
EP-2041159-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2011-09-28 EP 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
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 ABCB1 380/4885XIAP 123/4885BIRC3 228/4885

“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.