SCHEMBL9608914

SCHEMBL9608914

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.56
CTSS P25774 3/20 0.56
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
FAAH O00519 1/20 0.51
MAPT P10636 1/20 0.49
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.49
RIPK1 Q13546 1/20 0.49
EPHX2 P34913 2/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL5212724 1.00 CTSK (0.56) CTSKCTSSALDH1A1KDM4ELMNA
SCHEMBL12203909 1.00 CTSK (0.56) CTSKCTSSALDH1A1KDM4ELMNA
SCHEMBL6568733 0.89 CTSK (0.54) CTSKCTSSALDH1A1MAPTATM
SCHEMBL4961187 0.88 CTSK (0.56) CTSKCTSSALDH1A1MAPTATM
SCHEMBL19517266 0.88 CTSK (0.56) CTSKCTSSALDH1A1MAPTATM
SCHEMBL127326 0.88 RIPK1 (0.60) CTSKCTSSMAPTATMRIPK1
SCHEMBL3349953 0.88 RIPK1 (0.60) CTSKCTSSMAPTATMRIPK1
SCHEMBL2481921 0.88 RIPK1 (0.60) CTSKCTSSMAPTATMRIPK1
SCHEMBL3755737 0.86 CTSK (0.54) CTSKCTSSALDH1A1LMNAHPGD
SCHEMBL348500 0.86 CTSK (0.54) CTSKCTSSMAPTATMCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 WO disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 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 (3 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 CTSK 3030/4885CTSS 1405/4885ALDH1A1 2888/4885
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 CTSK 2733/4885CTSS 3225/4885ALDH1A1 833/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH CTSK 1716/4885CTSS 262/4885ALDH1A1 2986/4885

“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.