SCHEMBL13835474

SCHEMBL13835474

O=C(O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc4ccccc4c4ccc(F)cc34)CN2C1=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.46
▸ ADRB3 P13945 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CYP3A4 P08684 2/20 0.41
▸ CTSS P25774 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
SCHEMBL12481525 1.00 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3070302 0.96 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3070297 0.96 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3072606 0.94 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3072599 0.94 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3068070 0.94 CTSB (0.47) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3068076 0.94 CTSB (0.47) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2158796 0.94 CTSB (0.47) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3072608 0.94 ADRB3 (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL16161452 0.94 ADRB3 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951964-B2 Phenanthridine macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2015-02-10 — — US disclosed
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 — — 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-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, HPN, PRSS1 CTSB 92/4885ADRB3 4212/4885ADRA2B 4747/4885

“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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