SCHEMBL11887178

SCHEMBL11887178

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)N(C)C)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-n3ccc(C(C)C)n3)nc2c1C

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.67
▸ CTSB P07858 1/20 0.54
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40

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
SCHEMBL2445331 1.00 CTSS (0.67) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL2445327 1.00 CTSS (0.67) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL2445335 1.00 CTSS (0.67) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL17212956 0.93 CTSS (0.77) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL997485 0.93 CTSS (0.77) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL997487 0.93 CTSS (0.77) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL997482 0.93 CTSS (0.77) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL10156608 0.93 CTSS (0.77) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL10193640 0.92 CTSS (0.66) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL1089941 0.92 CTSS (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 — — US disclosed
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 — — 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-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS HCCS, NR5A1, NR0B1 CTSS 3146/4885CTSB 2871/4885ADRB3 1430/4885

“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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