SCHEMBL4301232

SCHEMBL4301232

O=C(O)[C@@H]1C[C@@H](OCc2cccc(-c3cccc(Br)c3)c2)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
AGTR2 P50052 8/20 0.43
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
BDKRB2 P30411 1/20 0.39
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
MMP9 P14780 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PRMT3 O60678 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL22091651 0.93 AGTR2 (0.47) AGTR2BDKRB2CARM1PRMT6MMP9
SCHEMBL27224005 0.82 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL9033443 0.82 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL9033440 0.82 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL3784713 0.82 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL9603360 0.82 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL17099295 0.82 AGTR2 (0.47) NAAAAGTR2BDKRB2MMP9
SCHEMBL17099064 0.79 AGTR2 (0.44) NAAAAGTR2BDKRB2MMP9
SCHEMBL8227117 0.78 USP30 (0.43) ITGB2ICAM1ITGALCARM1PRMT6
SCHEMBL4307660 0.78 CACNA1B (0.40) AGTR2

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 2 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-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 NAAA 3527/4885AGTR2 822/4885ITGB2 4187/4885

“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.