Sugi Predict

Sugi Predict / Compounds / SCHEMBL8228152

SCHEMBL8228152

SCHEMBL8228152

C=Cc1cccc(-c2cccc(CO[C@@H]3C[C@@H](C(=O)OC)N(C(=O)[C@@H](N)C4CCCCC4)C3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MC4R P32245 3/20 0.34
▸ MC3R P41968 3/20 0.34
▸ MC1R Q01726 3/20 0.34
▸ PEPD P12955 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ XPNPEP1 Q9NQW7 1/20 0.33
▸ AGTR2 P50052 4/20 0.33
▸ DPP4 P27487 3/20 0.33
▸ DPP7 Q9UHL4 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PRMT3 O60678 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
Hydrochloric Acid SCHEMBL2429662 0.99 CYP3A4 (0.38) CYP3A4THRBHSD17B10MC4RMC3R
Hydrochloric Acid SCHEMBL4304725 0.91 AGTR2 (0.40) CYP3A4THRBHSD17B10MC4RMC3R
SCHEMBL2426240 0.86 KLK5 (0.40) CYP3A4THRBHSD17B10
SCHEMBL2427392 0.85 F2 (0.35) CYP3A4THRBHSD17B10MC4RMC3R
SCHEMBL4294862 0.79 ACE (0.40) CYP3A4THRBHSD17B10AGTR2
SCHEMBL8230204 0.79 F2 (0.34) CYP3A4THRBHSD17B10MC4RMC3R
SCHEMBL2429307 0.78 ABCB1 (0.34) MC4RMC3RMC1RAGTR2PRMT3
Hydrochloric Acid SCHEMBL2429666 0.78 CYP3A4 (0.36) CYP3A4THRBHSD17B10NAAADPP4
SCHEMBL4303372 0.77 AGTR2 (0.36) CYP3A4THRBHSD17B10MC4RMC3R
SCHEMBL13395474 0.75 NR1H2 (0.42) CYP3A4MMP2

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 CYP3A4 338/4885THRB 1764/4885HSD17B10 2871/4885

“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.