SCHEMBL12040544

SCHEMBL12040544

CCC(C)S(=O)(=O)NC(=O)[C@@]12C[C@H]1/C=C\CCCCN(C)C(=O)[C@@H]1C[C@H](Oc3cc(-n4ccc(C(C)(C)C)n4)nc4c(C)c(OC)ccc34)C[C@H]1C(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.61
▸ CTSB P07858 1/20 0.52
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CYP3A4 P08684 1/20 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
SCHEMBL10193640 0.93 CTSS (0.66) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL997231 0.91 CTSS (0.70) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL10226031 0.91 CTSS (0.70) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL997229 0.91 CTSS (0.70) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL997227 0.91 CTSS (0.70) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL10156932 0.91 CTSS (0.70) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL996516 0.90 CTSS (0.56) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL996517 0.90 CTSS (0.56) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL996520 0.90 CTSS (0.56) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL10156929 0.90 CTSS (0.56) CTSSCTSBADRB3ADRA2BADRA2C

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-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-12-01 — — 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-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, HCCS, CYP3A7 CTSS 1858/4885CTSB 3274/4885ADRB3 2867/4885

“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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