SCHEMBL13059614

SCHEMBL13059614

O=C(CCC(F)(F)F)NC1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.35
▸ HDAC4 P56524 6/20 0.31
▸ HDAC1 Q13547 6/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ HDAC6 Q9UBN7 4/20 0.30
▸ MGAT2 Q10469 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
SCHEMBL3794786 1.00 CTSB (0.37) CTSBCTSSHDAC4HDAC1CYP3A4
SCHEMBL1646314 1.00 CTSB (0.37) CTSBCTSSHDAC4HDAC1CYP3A4
SCHEMBL11976285 0.91 CTSB (0.41) CTSBCTSSHDAC4HDAC1CYP3A4
SCHEMBL13082879 0.91 CTSB (0.41) CTSBCTSSHDAC4HDAC1CYP3A4
SCHEMBL11976288 0.89 CTSB (0.39) CTSBCTSSCYP3A4
SCHEMBL1646220 0.89 CTSB (0.39) CTSBCTSSCYP3A4
SCHEMBL1683141 0.89 CTSB (0.39) CTSBCTSSCYP3A4
SCHEMBL3793073 0.89 CTSB (0.39) CTSBCTSSCYP3A4
SCHEMBL13711265 0.89 CTSB (0.39) CTSBCTSSHDAC4HDAC1CYP3A4
SCHEMBL11976286 0.89 CTSB (0.39) CTSBCTSSHDAC4HDAC1CYP3A4

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-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — US 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 550/4885CTSS 916/4885HDAC4 2076/4885

“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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