SCHEMBL13615828

SCHEMBL13615828

CC(C)Cc1ccc(-c2nccs2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CYP2A6 P11509 1/20 0.46
PDPK1 O15530 1/20 0.43
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE10A Q9Y233 1/20 0.40
CHEK2 O96017 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
TLR9 Q9NR96 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL13622938 0.82 ADRB2 (0.50) ADRB2LOXL2CYP2A6PDPK1SLC6A4
SCHEMBL10130841 0.80 LOXL2 (0.61) ADRB2LOXL2CYP2A6PDPK1SLC6A4
SCHEMBL15490954 0.79 PDE10A (0.50) PDE10ATLR8TLR7TLR9
SCHEMBL16597351 0.79 LOXL2 (0.50) ADRB2LOXL2CYP2A6PDPK1SLC6A4
SCHEMBL16610138 0.79 LOXL2 (0.50) ADRB2LOXL2CYP2A6PDPK1SLC6A4
SCHEMBL10130875 0.76 CYP2C9 (0.42) CYP2A6PDE10ACHEK2HDAC3HDAC1
SCHEMBL13615888 0.76 CYP2A6 (0.50) ADRB2LOXL2CYP2A6PDPK1SLC6A4
SCHEMBL27980433 0.75 ADRB2 (0.50) ADRB2LOXL2CYP2A6PDPK1CHEK2
SCHEMBL4355883 0.75 LOXL2 (0.50) ADRB2LOXL2CYP2A6PDPK1SLC6A4
SCHEMBL13615799 0.75 PDE10A (0.38) PDE10A

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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ADRB2 3257/4885LOXL2 4254/4885CYP2A6 27/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ADRB2 3257/4885LOXL2 4254/4885CYP2A6 27/4885

“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.