SCHEMBL255673

SCHEMBL255673

CC(Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.60
CTSK P43235 6/20 0.60
ACACB O00763 3/20 0.55
CACNA1B Q00975 1/20 0.47
ATM Q13315 1/20 0.47
AAK1 Q2M2I8 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
CTSB P07858 2/20 0.45
CTSL P07711 1/20 0.45

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
SCHEMBL30101873 1.00 CTSS (0.60) CTSSCTSKACACBCACNA1BATM
SCHEMBL2742779 0.87 ACACB (0.54) CTSSCTSKACACBATMNPC1
SCHEMBL13446081 0.87 CTSS (0.60) CTSSCTSKACACBATMNPC1
SCHEMBL8543180 0.87 CTSS (0.60) CTSSCTSKACACBATMNPC1
SCHEMBL14588983 0.87 ACACB (0.54) CTSSCTSKACACBATMNPC1
SCHEMBL23279494 0.85 ACACB (0.59) CTSSCTSKACACBATMNPC1
SCHEMBL6763468 0.85 NPC1 (0.52) CTSSCTSKACACBATMNPC1
SCHEMBL13197844 0.85 NPC1 (0.52) CTSSCTSKACACBATMNPC1
SCHEMBL165908 0.85 CYP1A2 (0.49) CTSSCTSKACACBATMNPC1
SCHEMBL26703849 0.85 ACACB (0.55) CTSSCTSKACACBCACNA1BATM

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114006-A1 SUBSTITUTED BIARYL ALKYL AMIDES BIOTHERYX, INC. 2017-04-27 US disclosed
US-9546131-B2 Substituted biaryl alkyl amides BIOTHERYX, INC. (US) 2017-01-17 US disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8822527-B2 Substituted biaryl alkyl amides BIOTHERYX, INC. (US) 2014-09-02 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20130102649-A1 SUBSTITUTED BIARYL ALKYL AMIDES BIOTHERYX, INC. (US) 2013-04-25 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 CTSS 1540/4885CTSK 144/4885ACACB 971/4885
US-20170114006-A1 SUBSTITUTED BIARYL ALKYL AMIDES AADAC, NAT1, GLS2 CTSS 879/4885CTSK 1842/4885ACACB 9/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G CTSS 574/4885CTSK 257/4885ACACB 2257/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 CTSS 1540/4885CTSK 144/4885ACACB 971/4885
US-20130102649-A1 SUBSTITUTED BIARYL ALKYL AMIDES AADAC, NAT1, GLS2 CTSS 879/4885CTSK 1842/4885ACACB 9/4885

“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.