SCHEMBL15964631

SCHEMBL15964631

CC(C)(C)OC(=O)N[C@@H](COc1ccc(Br)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.50
PPARA Q07869 4/20 0.45
PPARG P37231 3/20 0.45
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSB P07858 1/20 0.42
ACE P12821 1/20 0.41
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL29079129 1.00 AAK1 (0.50) AAK1PPARAPPARGCTSSCTSK
SCHEMBL30037723 1.00 AAK1 (0.50) AAK1PPARAPPARGCTSSCTSK
SCHEMBL20477379 0.92 AAK1 (0.48) AAK1PPARAPPARGCTSSCTSK
SCHEMBL20477382 0.92 AAK1 (0.48) AAK1PPARAPPARGCTSSCTSK
SCHEMBL8904021 0.88 ALDH1A1 (0.52) PPARAPPARGALDH1A1
SCHEMBL17321186 0.88 ALDH1A1 (0.52) PPARAPPARGALDH1A1
SCHEMBL27373894 0.88 ALDH1A1 (0.52) PPARAPPARGALDH1A1
SCHEMBL1561539 0.88 MAPT (0.47) AAK1PPARAPPARGACEGSTP1
SCHEMBL1561542 0.88 MAPT (0.47) AAK1PPARAPPARGACEGSTP1
SCHEMBL8903728 0.88 PPARA (0.45) AAK1PPARAPPARGCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310454-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2023-10-05 US disclosed
CN-116640156-A RIPK1 inhibitors 上海齐鲁制药研究中心有限公司 2023-08-25 CN disclosed
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-06-01 US disclosed
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 US disclosed
US-20230143161-A1 HETEROCYCLIC RIP1 INHIBITORY COMPOUNDS RIGEL PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 US disclosed
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-29 US disclosed
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-29 US disclosed
US-9624202-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-18 US disclosed
US-9624202-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-18 US disclosed
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 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 (8 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-20230143161-A1 HETEROCYCLIC RIP1 INHIBITORY COMPOUNDS RIPK1, RIPK2, RIPK3 AAK1 206/4885PPARA 3440/4885PPARG 2574/4885
US-20230310454-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 AAK1 209/4885PPARA 3417/4885PPARG 2816/4885
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 AAK1 153/4885PPARA 1994/4885PPARG 1786/4885
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 AAK1 24/4885PPARA 2686/4885PPARG 1546/4885
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 AAK1 153/4885PPARA 1994/4885PPARG 1786/4885
US-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 AAK1 153/4885PPARA 1994/4885PPARG 1786/4885
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 AAK1 21/4885PPARA 2736/4885PPARG 2723/4885
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 AAK1 162/4885PPARA 1878/4885PPARG 1800/4885

“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.