SCHEMBL1908632

SCHEMBL1908632

C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 3/20 0.52
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
GPR88 Q9GZN0 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
APP P05067 1/20 0.43
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL13211538 1.00 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4731613 1.00 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL16622532 1.00 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL13707743 0.89 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL21146168 0.89 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8295708 0.89 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL12993554 0.89 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL13211537 0.88 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL13232075 0.88 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL30695638 0.88 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT

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 15 patents. 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-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-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 US disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US 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
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 WO disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-08-12 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 (4 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 1109/4885CTSS 1179/4885GABRB1 1197/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CTSK 1109/4885CTSS 1179/4885GABRB1 1197/4885
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 CTSK 839/4885CTSS 587/4885GABRB1 1126/4885
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS PNISR, PRMT9, PRMT8 CTSK 4009/4885CTSS 4326/4885GABRB1 4371/4885

“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.