Sugi Predict

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SCHEMBL2431251

SCHEMBL2431251

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.34
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ XIAP P98170 3/20 0.33
▸ BIRC3 Q13489 3/20 0.33
▸ BIRC2 Q13490 3/20 0.33
▸ CARM1 Q86X55 2/20 0.32
▸ PRMT6 Q96LA8 2/20 0.32
▸ MC4R P32245 2/20 0.31
▸ MC3R P41968 2/20 0.31
▸ MC1R Q01726 2/20 0.31
▸ AGTR2 P50052 1/20 0.31
▸ AKT1 P31749 1/20 0.30
▸ AKT2 P31751 1/20 0.30
▸ AKT3 Q9Y243 1/20 0.30
▸ PRMT3 O60678 1/20 0.30
▸ PRMT8 Q9NR22 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
SCHEMBL2429307 0.91 ABCB1 (0.34) ABCB1XIAPBIRC3BIRC2CARM1
SCHEMBL2427392 0.78 F2 (0.35) ABCB1CARM1PRMT6MC4RMC3R
SCHEMBL8227117 0.77 USP30 (0.43) ABCB1ITGB2ICAM1ITGALCARM1
SCHEMBL8230204 0.77 F2 (0.34) MC4RMC3RMC1RAGTR2
SCHEMBL2430508 0.74 CACNA1B (0.41) ABCB1XIAPBIRC3BIRC2
SCHEMBL13413683 0.72 ELANE (0.35) XIAPBIRC3BIRC2CARM1PRMT6
SCHEMBL3063867 0.72 ABCB1 (0.46) ABCB1
SCHEMBL3812802 0.72 ABCB1 (0.46) ABCB1
SCHEMBL4303372 0.71 AGTR2 (0.36) ABCB1CARM1PRMT6MC4RMC3R
SCHEMBL4301232 0.69 NAAA (0.44) ITGB2ICAM1ITGALCARM1PRMT6

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 6 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

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 380/4885ITGB2 4187/4885ICAM1 2187/4885

“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.