SCHEMBL17099295

SCHEMBL17099295

O=C(O)[C@@H]1C[C@@H](OCc2cccc(I)c2)CN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 10/20 0.47
BDKRB2 P30411 2/20 0.41
IDO1 P14902 2/20 0.38
MMP9 P14780 1/20 0.38
NAAA Q02083 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL9033440 0.86 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL3784713 0.86 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL27224005 0.86 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL9033443 0.86 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL9603360 0.86 AGTR2 (0.59) AGTR2BDKRB2MMP9
SCHEMBL22091651 0.86 AGTR2 (0.47) AGTR2BDKRB2MMP9
SCHEMBL17099064 0.83 AGTR2 (0.44) AGTR2BDKRB2MMP9NAAA
SCHEMBL4301232 0.82 NAAA (0.44) AGTR2BDKRB2MMP9NAAA
SCHEMBL25257331 0.80 NAAA (0.44) BDKRB2IDO1NAAASIGMAR1
SCHEMBL5754489 0.76 AGTR2 (0.57) AGTR2BDKRB2MMP9

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-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 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-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC AGTR2 3399/4885BDKRB2 3878/4885IDO1 968/4885

“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.