SCHEMBL10130841

SCHEMBL10130841

CC(C)Cc1ccc(-c2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.61
ADRB2 P07550 3/20 0.60
PDPK1 O15530 1/20 0.53
LMNA P02545 1/20 0.49
XBP1 P17861 1/20 0.49
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.43
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT1 Q99873 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL13615828 0.80 ADRB2 (0.46) LOXL2ADRB2PDPK1SLC6A4SLC6A3
SCHEMBL10130831 0.80 ADRB2 (0.43) LOXL2ADRB2PDPK1LMNAXBP1
SCHEMBL722198 0.80 PDPK1 (0.77) LOXL2ADRB2PDPK1SLC6A4SLC6A3
SCHEMBL8240124 0.79 LOXL2 (0.67) LOXL2ADRB2PDPK1SLC6A4SLC6A3
SCHEMBL19112150 0.79 LOXL2 (0.57) LOXL2ADRB2PDPK1LMNAXBP1
SCHEMBL21791658 0.79 LOXL2 (0.71) LOXL2ADRB2PDPK1SLC6A4SLC6A3
SCHEMBL14210017 0.78 LOXL2 (0.56) LOXL2ADRB2PDPK1LMNAXBP1
SCHEMBL11994379 0.78 PDPK1 (0.57) LOXL2ADRB2PDPK1SLC6A4SLC6A3
SCHEMBL12001099 0.78 ACACB (0.66) LOXL2ADRB2ACACB
Hydrochloric Acid SCHEMBL17261482 0.76 LOXL2 (0.62) LOXL2ADRB2PDPK1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (6 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 LOXL2 3872/4885ADRB2 3433/4885PDPK1 2265/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LOXL2 3872/4885ADRB2 3433/4885PDPK1 2265/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LOXL2 3872/4885ADRB2 3433/4885PDPK1 2265/4885
US-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A LOXL2 3773/4885ADRB2 2765/4885PDPK1 1449/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 LOXL2 4753/4885ADRB2 4316/4885PDPK1 4458/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LOXL2 3872/4885ADRB2 3433/4885PDPK1 2265/4885

“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.