SCHEMBL3791880

SCHEMBL3791880

Cc1ccc(CC(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3CCCN3C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.38
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ MGAT2 Q10469 1/20 0.33
▸ XIAP P98170 2/20 0.33
▸ BIRC3 Q13489 2/20 0.33
▸ BIRC2 Q13490 2/20 0.33
▸ BDKRB1 P46663 8/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL13059615 1.00 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12808436 1.00 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8247263 1.00 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL1645929 1.00 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3797097 0.94 CTSB (0.42) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL1646382 0.94 CTSB (0.42) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL11976287 0.94 CTSB (0.42) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13082477 0.94 CTSB (0.39) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8243228 0.93 CTSB (0.38) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13082876 0.93 CTSB (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — 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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CTSB 550/4885CTSS 916/4885ADRB3 4572/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS CTSB 541/4885CTSS 837/4885ADRB3 4531/4885

“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.

Send feedback