SCHEMBL3045958

SCHEMBL3045958

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5C=CCCCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.66
▸ CTSS P25774 1/20 0.43
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ TACR3 P29371 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ CTSL P07711 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
SCHEMBL3045951 1.00 CTSB (0.66) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3050936 0.94 CTSB (0.63) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3050935 0.94 CTSB (0.63) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3052431 0.91 CTSB (0.82) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13248865 0.91 CTSB (0.82) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13385376 0.88 CTSB (0.55) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3048931 0.88 CTSB (0.55) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3283647 0.88 CTSB (0.55) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3046722 0.88 CTSB (0.55) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13519885 0.88 CTSB (0.55) CTSBCTSSADRB3ADRA2BADRA2C

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 5 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-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US disclosed
EP-1713823-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-11-11 — — EP disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 — — 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 (3 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-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885ADRB3 4099/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 CTSB 126/4885CTSS 69/4885ADRB3 4075/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885ADRB3 4099/4885

“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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