SCHEMBL8286038

SCHEMBL8286038

COc1ccc2c(O[C@H]3C[C@H]4C(=O)NCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.83
▸ CTSS P25774 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ TACR3 P29371 6/20 0.33
▸ HPGD P15428 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PAX8 Q06710 1/20 0.31

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
SCHEMBL8285124 0.91 CTSB (1.00) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
SCHEMBL13413197 0.91 CTSB (0.89) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
SCHEMBL13248866 0.91 CTSB (0.89) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
SCHEMBL13385475 0.90 CTSB (0.88) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
SCHEMBL3049806 0.90 CTSB (0.66) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
SCHEMBL3049795 0.90 CTSB (0.66) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
SCHEMBL8285112 0.90 CTSB (0.66) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL3053173 0.88 CTSB (0.84) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
SCHEMBL13248865 0.87 CTSB (0.82) CTSBCTSSALDH1A1KDM4ESMN1; SMN2
SCHEMBL3052431 0.87 CTSB (0.82) CTSBCTSSALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 — — US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 — — US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 — — US disclosed
US-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 — — US disclosed
US-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 — — US disclosed
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 — — US disclosed
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 — — US disclosed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US disclosed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 — — US disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 — — US disclosed
WO-2005073195-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 (5 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-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885ALDH1A1 4292/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885ALDH1A1 4292/4885
US-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT HAVCR2, CYP7A1, CYP3A4 CTSB 111/4885CTSS 206/4885ALDH1A1 640/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 CTSB 126/4885CTSS 69/4885ALDH1A1 4156/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885ALDH1A1 4292/4885

“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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