SCHEMBL15955445

SCHEMBL15955445

CC1CC(NC(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
TLR4 O00206 1/20 0.46
EPHX1 P07099 1/20 0.46
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
ABCB1 P08183 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 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
SCHEMBL28849319 1.00 CTSL (0.52) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL17591935 1.00 CTSL (0.52) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL24150906 1.00 CTSL (0.52) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL30404918 0.90 ALDH1A1 (0.48) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL25181699 0.90 ALDH1A1 (0.48) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL21864768 0.88 ALDH1A1 (0.52) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL20299791 0.88 ALDH1A1 (0.52) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL16409216 0.88 CTSL (0.50) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL25066323 0.87 CTSL (0.49) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL17591736 0.87 CTSL (0.58) CTSLCTSBCTSKHSD11B1ALDH1A1

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-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
CN-115028619-A SMYD inhibitors EPIZYME股份有限公司 2022-09-09 CN disclosed
CN-107072205-B SMYD inhibitors EPIZYME股份有限公司 2022-07-15 CN disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
EP-3193600-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016040505-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2016-03-17 WO disclosed
US-9126940-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-08-21 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-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 CTSL 4569/4885CTSB 4003/4885CTSK 4417/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 CTSL 4767/4885CTSB 4258/4885CTSK 4025/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CTSL 4710/4885CTSB 4190/4885CTSK 4477/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 CTSL 4716/4885CTSB 4218/4885CTSK 4499/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 CTSL 4729/4885CTSB 4138/4885CTSK 4506/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CTSL 4705/4885CTSB 4198/4885CTSK 4482/4885

“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.