SCHEMBL29991752

SCHEMBL29991752

CCc1nc2ccccc2nc1O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.45
▸ CTSB P07858 1/20 0.42
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CTSS P25774 1/20 0.36

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
SCHEMBL29991740 0.94 ADRB3 (0.46) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL2135250 0.94 CYP3A4 (0.46) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL2133977 0.93 CYP3A4 (0.45) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL29991760 0.93 CTSB (0.47) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL29716305 0.93 CTSB (0.47) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL12794444 0.93 CYP3A4 (0.44) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL21800771 0.93 CTSB (0.45) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL2131121 0.91 CYP3A4 (0.45) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL2133366 0.91 CYP3A4 (0.45) CYP3A4CTSBADRB3ADRA2BADRA2C
SCHEMBL9958019 0.91 CTSB (0.45) CYP3A4CTSBADRB3ADRA2BADRA2C

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-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2023-03-30 — — US disclosed
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2022-10-18 — — 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-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 CYP3A4 32/4885CTSB 50/4885ADRB3 3732/4885
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 CYP3A4 32/4885CTSB 50/4885ADRB3 3732/4885

“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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