SCHEMBL1908598

SCHEMBL1908598

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.62
CTSL P07711 4/20 0.62
CTSB P07858 4/20 0.62
CTSS P25774 3/20 0.62
ATM Q13315 1/20 0.60
ELANE P08246 2/20 0.56
PRTN3 P24158 1/20 0.56
CASP3 P42574 2/20 0.55
CA2 P00918 1/20 0.55
CA5A P35218 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55
CASP8 Q14790 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL19465739 0.94 CTSK (0.57) CTSKCTSLCTSBCTSSATM
SCHEMBL10269278 0.92 CTSK (0.55) CTSKCTSLCTSBCTSSATM
SCHEMBL10535601 0.91 TRPM8 (0.62) CTSKCTSLCTSBCTSSATM
SCHEMBL28892051 0.91 TRPM8 (0.62) CTSKCTSLCTSBCTSSATM
SCHEMBL10535596 0.91 TRPM8 (0.62) CTSKCTSLCTSBCTSSATM
SCHEMBL12577363 0.90 CTSL (0.52) CTSKCTSLCTSBCTSSATM
SCHEMBL8671882 0.89 CTSL (0.63) CTSKCTSLCTSBCTSSATM
SCHEMBL220569 0.89 CTSL (0.63) CTSKCTSLCTSBCTSSATM
SCHEMBL1287168 0.89 CTSL (0.63) CTSKCTSLCTSBCTSSATM
SCHEMBL2978398 0.89 CTSL (0.63) CTSKCTSLCTSBCTSSATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 EP disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
EP-2507210-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Novartis AG (CH) 2012-10-10 EP disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
US-5691368-A THERAPY FOR NEURODEGENERATIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-25 US disclosed
EP-0802909-A2 SUBSTITUTED OXAZOLIDINE CALPAIN AND/OR CATHEPSIN B INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-10-29 EP disclosed
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
WO-1996021655-A2 SUBSTITUTED OXAZOLIDINE CALPAIN AND/OR CATHEPSIN B INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1996-07-18 WO disclosed
EP-0721449-A1 INHIBITORS OF $g(b)-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1996-07-17 EP disclosed
WO-1995009838-A1 INHIBITORS OF β-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1995-04-13 WO disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 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 (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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CTSK 1109/4885CTSL 1870/4885CTSB 1337/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CTSK 1109/4885CTSL 1870/4885CTSB 1337/4885

“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.