SCHEMBL12844697

SCHEMBL12844697

CC[C@]1(C(=O)NS(=O)(=O)N(C)C)/C=C\CCCCC[C@H](N)C(=O)N2C[C@H](Oc3nc4ccccc4[nH]3)C[C@H]2C(=O)N1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 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
SCHEMBL12844822 0.86 CTSB (0.38) —
SCHEMBL7874003 0.86 CTSB (0.38) —
SCHEMBL7874008 0.77 CYP3A4 (0.44) —
SCHEMBL7874444 0.76 CYP3A4 (0.41) —
SCHEMBL12793220 0.75 CTSB (0.40) —
SCHEMBL12792983 0.74 ADRB3 (0.37) —
SCHEMBL8380521 0.73 ADRB3 (0.34) —
SCHEMBL8382768 0.71 ADRB3 (0.35) —
SCHEMBL8380514 0.71 ADRB3 (0.35) —
SCHEMBL8378621 0.71 ADRB3 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 — — 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-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 KMT2A 3177/4885

“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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