SCHEMBL13623738

SCHEMBL13623738

CCC(C)S(=O)(=O)NC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)NC(C)(C)C)C(=O)N1C[C@H](NC(=O)c3sc4ccccc4c3Cl)C[C@H]1C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ OGG1 O15527 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ HTT P42858 2/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL13610728 0.91 CTSB (0.38) ADRB3ADRA2BADRA2CNPC1RAB9A
SCHEMBL13624495 0.90 ADRB3 (0.39) ADRB3ADRA2BADRA2CNPC1RAB9A
SCHEMBL13623951 0.88 CYP3A4 (0.35) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL13623739 0.85 ADRB3 (0.37) ADRB3ADRA2BADRA2CCYP3A4ALDH1A1
SCHEMBL13623562 0.84 ADRB3 (0.35) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL13610731 0.84 CTSB (0.37) ADRB3ADRA2BADRA2CNPC1RAB9A
SCHEMBL13610751 0.84 RAB9A (0.38) ADRB3ADRA2BADRA2CNPC1RAB9A
SCHEMBL13610733 0.84 ADRB3 (0.37) ADRB3ADRA2BADRA2CNPC1RAB9A
SCHEMBL3970724 0.83 CTSB (0.40) ADRB3ADRA2BADRA2CNPC1RAB9A
SCHEMBL13610642 0.83 CTSB (0.39) ADRB3ADRA2BADRA2CNPC1RAB9A

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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — 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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885

“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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