SCHEMBL1942391

SCHEMBL1942391

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CCC6)C[C@H]5CCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.53
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 3/20 0.37
▸ CTSS P25774 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ TACR3 P29371 2/20 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
SCHEMBL1942507 1.00 CTSB (0.53) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL1942057 0.98 CTSB (0.55) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL1942687 0.98 CTSB (0.55) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL1940779 0.98 CTSB (0.55) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL1942948 0.98 CTSB (0.55) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL6805061 0.94 CTSB (0.56) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL6369432 0.92 CTSB (0.57) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL6800080 0.92 CTSB (0.57) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL6804142 0.92 CTSB (0.58) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL6797924 0.92 CTSB (0.58) CTSBADRB3ADRA2BADRA2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455809-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-06-15 — — EP disclosed
US-6867185-B2 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-15 — — US disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 — — 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-20040038872-A1 Inhibitors of hepatitis C virus HAVCR2, LIPC, ZC3HAV1 CTSB 138/4885ADRB3 3720/4885ADRA2B 4589/4885

“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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