SCHEMBL1646220

SCHEMBL1646220

O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCCCC/C=C\C2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CCCN2C1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.36
▸ BDKRB1 P46663 1/20 0.34
▸ FPR2 P25090 6/20 0.33
▸ FPR1 P21462 5/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL11976288 1.00 CTSB (0.39) CTSBCTSSBDKRB1FPR2FPR1
SCHEMBL3793073 1.00 CTSB (0.39) CTSBCTSSBDKRB1FPR2FPR1
SCHEMBL1683141 1.00 CTSB (0.39) CTSBCTSSBDKRB1FPR2FPR1
SCHEMBL13082876 0.93 CTSB (0.38) CTSBCTSSF2CRBN
SCHEMBL11976287 0.92 CTSB (0.42) CTSBCTSSMEN1F2
SCHEMBL3797097 0.92 CTSB (0.42) CTSBCTSSMEN1F2
SCHEMBL13082477 0.92 CTSB (0.39) CTSBCTSSF2CRBN
SCHEMBL1646382 0.92 CTSB (0.42) CTSBCTSSMEN1F2
SCHEMBL12808436 0.92 CTSB (0.40) CTSBCTSSBDKRB1KMT2AMEN1
SCHEMBL13059615 0.92 CTSB (0.40) CTSBCTSSBDKRB1KMT2AMEN1

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
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — 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-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS CTSB 541/4885CTSS 837/4885BDKRB1 2410/4885

“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.

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