SCHEMBL10275461

SCHEMBL10275461

CCS(=O)(=O)N(C)CC(NC(=O)N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)CN2C1=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.52
▸ ADRB3 P13945 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ CYP3A4 P08684 2/20 0.36
▸ CTSS P25774 1/20 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
SCHEMBL16298158 1.00 CTSB (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10227219 1.00 CTSB (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10275452 0.96 CTSB (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10227214 0.96 CTSB (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10227175 0.91 ADRB3 (0.59) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10274816 0.91 ADRB3 (0.59) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL14365688 0.89 ADRB3 (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10227216 0.88 ADRB3 (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10275623 0.88 ADRB3 (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10275969 0.87 ADRB3 (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
US-7442695-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-10-28 — — US disclosed
US-20070258947-A1 Depeptidized Inhibitors of Hepatitis C Virus NS3 Protease SCHERING CORPORATION 2007-11-08 — — US disclosed
US-7253160-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-08-07 — — 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-20070258947-A1 Depeptidized Inhibitors of Hepatitis C Virus NS3 Protease DPP3, DPP7, DPP4 CTSB 78/4885ADRB3 3738/4885ADRA2B 4407/4885

“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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