SCHEMBL5575604

SCHEMBL5575604

CC(C)(C)OC(=O)NC(CO)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
S1PR3 Q99500 1/20 0.48
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNQ4 P56696 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
RIPK1 Q13546 1/20 0.44
MAPK1 P28482 5/20 0.43
PHGDH O43175 1/20 0.42
MAPK3 P27361 4/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DCAF1 Q9Y4B6 1/20 0.41

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
SCHEMBL29840672 1.00 CTSL (0.50) CTSLS1PR3KCNQ3KCNQ2KCNQ4
SCHEMBL16690741 1.00 CTSL (0.50) CTSLS1PR3KCNQ3KCNQ2KCNQ4
SCHEMBL4597970 1.00 CTSL (0.50) CTSLS1PR3KCNQ3KCNQ2KCNQ4
SCHEMBL4597836 0.90 CTSL (0.48) CTSLS1PR3CTSSCTSKMAPK1
SCHEMBL4597438 0.90 CTSL (0.48) CTSLS1PR3CTSSCTSKMAPK1
SCHEMBL27955102 0.90 CTSL (0.48) CTSLS1PR3CTSSCTSKPHGDH
SCHEMBL17691230 0.90 CTSL (0.48) CTSLS1PR3KCNQ3KCNQ2KCNQ4
SCHEMBL19731347 0.90 CTSL (0.48) CTSLS1PR3CTSSCTSKMAPK1
SCHEMBL742764 0.88 CTSL (0.50) CTSLS1PR3CTSSCTSKDCAF1
SCHEMBL20879151 0.88 CTSL (0.47) CTSLS1PR3CTSSCTSKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200961-B Heterocyclic inhibitors of ERK1 and ERK2 and their use in cancer treatment 阿沙纳生物科学公司 2023-12-22 CN disclosed
CN-114901274-A Improved methods, kits, compositions and dosing regimens using heterocyclic inhibitors of ERK1 and ERK2 阿沙纳生物科学公司 2022-08-12 CN disclosed
CN-113200961-A Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer 阿沙纳生物科学公司 2021-08-03 CN disclosed
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 CN disclosed
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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 (1 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CTSL 1387/4885S1PR3 68/4885KCNQ3 4675/4885

“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.