SCHEMBL3569592

SCHEMBL3569592

CCOc1cc(OC2CC3C(=O)NC4(C(=O)NS(=O)(=O)C5CC5)CC4/C=C/CCCCN(C)C(=O)C3C2)c2ccc(OC)c(Br)c2n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.66
▸ CTSB P07858 1/20 0.66
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34

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
SCHEMBL8203305 1.00 CTSS (0.66) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3570205 0.94 CTSS (0.74) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3570202 0.94 CTSS (0.74) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL15705230 0.94 CTSS (0.74) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3561387 0.94 CTSS (0.74) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3574700 0.91 CTSB (0.80) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3574713 0.91 CTSB (0.80) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL8191187 0.91 CTSB (0.80) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3574706 0.91 CTSB (0.80) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3558586 0.90 CTSB (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365582-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-06-14 — — US disclosed
US-20140113929-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen R&D Ireland (formerly Tibotec Pharmaceuticals) (IE) 2014-04-24 — — US disclosed
US-8637663-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-01-28 — — US disclosed
US-20100022578-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-01-28 — — 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 (2 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-20100022578-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS HAVCR2, HCCS, IFNAR1 CTSS 2939/4885CTSB 2501/4885ADRB3 3493/4885
US-20140113929-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS HCCS, HAVCR2, IFNAR1 CTSS 3380/4885CTSB 3016/4885ADRB3 3728/4885

“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.

Send feedback