SCHEMBL882945

SCHEMBL882945

COc1ccc2c(O[C@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]3C)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
ADRB3 P13945 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL3429241 1.00 CTSS (0.40) CTSSADRB3ADRA2BADRA2C
SCHEMBL882935 0.94 CTSS (0.39) CTSS
SCHEMBL3431432 0.86 CTSB (0.42) CTSSADRB3ADRA2BADRA2C
SCHEMBL1101734 0.85 CTSS (0.44) CTSSADRB3ADRA2BADRA2C
SCHEMBL7936436 0.85 CTSS (0.44) CTSSADRB3ADRA2BADRA2C
SCHEMBL3431017 0.84 CTSS (0.41) CTSSADRB3ADRA2BADRA2C
SCHEMBL883058 0.84 CTSS (0.38) CTSS
SCHEMBL883365 0.83 CTSS (0.39) CTSS
SCHEMBL10273144 0.83 CTSS (0.39) CTSS
SCHEMBL3478949 0.83 SUV39H2 (0.30)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP CTSS 1768/4885ADRB3 4240/4885ADRA2B 2962/4885

“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.