SCHEMBL3048931

SCHEMBL3048931

COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5/C=C/CCCCCN(NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.55
▸ ADRB3 P13945 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CYP3A4 P08684 2/20 0.35
▸ CTSS P25774 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ TACR3 P29371 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ ACACB O00763 1/20 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
SCHEMBL13385376 1.00 CTSB (0.55) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3283647 1.00 CTSB (0.55) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3046722 0.99 CTSB (0.55) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13519885 0.99 CTSB (0.55) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3049302 0.94 CTSB (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3277222 0.94 CTSB (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8246136 0.94 CTSB (0.52) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3276527 0.93 CTSB (0.53) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13385382 0.93 CTSB (0.53) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3045898 0.93 CTSB (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 — — US disclosed
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 — — EP disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 — — US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 — — US disclosed
EP-1910347-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2008-04-16 — — EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 — — WO disclosed
EP-1713822-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 — — EP disclosed
WO-2005073216-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 — — WO 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 CTSB 731/4885ADRB3 2740/4885ADRA2B 4712/4885
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 CTSB 404/4885ADRB3 1873/4885ADRA2B 4190/4885

“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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