SCHEMBL1646382

SCHEMBL1646382

O=C(Cc1ccccc1)NC1CCCCC/C=C\C2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CCCN2C1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.42
▸ F2 P00734 2/20 0.36
▸ CTSS P25774 1/20 0.36
▸ BIRC3 Q13489 3/20 0.36
▸ XIAP P98170 2/20 0.36
▸ BIRC2 Q13490 2/20 0.36
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ HDAC4 P56524 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MME P08473 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ TERF2 Q15554 2/20 0.32

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
SCHEMBL11976287 1.00 CTSB (0.42) CTSBF2CTSSBIRC3XIAP
SCHEMBL3797097 1.00 CTSB (0.42) CTSBF2CTSSBIRC3XIAP
SCHEMBL13082477 0.94 CTSB (0.39) CTSBF2CTSSBIRC3XIAP
SCHEMBL3791880 0.94 CTSB (0.40) CTSBF2CTSSBIRC3XIAP
SCHEMBL13082876 0.94 CTSB (0.38) CTSBF2CTSSBIRC3XIAP
SCHEMBL12808436 0.94 CTSB (0.40) CTSBF2CTSSBIRC3XIAP
SCHEMBL8247263 0.94 CTSB (0.40) CTSBF2CTSSBIRC3XIAP
SCHEMBL13059615 0.94 CTSB (0.40) CTSBF2CTSSBIRC3XIAP
SCHEMBL8243228 0.94 CTSB (0.38) CTSBF2CTSSBIRC3XIAP
SCHEMBL3793524 0.94 CTSB (0.38) CTSBF2CTSSBIRC3XIAP

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-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305697-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
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — 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-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CTSB 550/4885F2 582/4885CTSS 916/4885

“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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