SCHEMBL4570295

SCHEMBL4570295

COC(=O)[C@H](N)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.47
SLC6A3 Q01959 2/20 0.46
TP53 P04637 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP2 P08253 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.43
THRB P10828 1/20 0.43
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL24724891 1.00 DPP4 (0.47) DPP4SLC6A3TP53CA12CA1
SCHEMBL22143669 1.00 DPP4 (0.47) DPP4SLC6A3TP53CA12CA1
SCHEMBL8283254 1.00 DPP4 (0.47) DPP4SLC6A3TP53CA12CA1
SCHEMBL2608454 1.00 DPP4 (0.47) DPP4SLC6A3TP53CA12CA1
SCHEMBL954821 1.00 DPP4 (0.47) DPP4SLC6A3TP53CA12CA1
Hydrochloric Acid SCHEMBL954820 0.98 DPP4 (0.46) DPP4SLC6A3TP53CA12CA1
Hydrochloric Acid SCHEMBL1069570 0.98 DPP4 (0.46) DPP4SLC6A3TP53CA12CA1
Hydrochloric Acid SCHEMBL20588914 0.98 DPP4 (0.46) DPP4SLC6A3TP53CA12CA1
Hydrochloric Acid SCHEMBL3642646 0.98 DPP4 (0.46) DPP4SLC6A3TP53CA12CA1
SCHEMBL8254579 0.98 SLC6A3 (0.45) DPP4SLC6A3TP53CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283435-A1 Autotaxin Inhibitory Compunds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-09-10 US disclosed
US-10654846-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-19 US disclosed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
WO-2016124939-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO disclosed
CN-102753166-B Tetrapeptide analogs, preparation method and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2014-10-15 CN disclosed
US-8377949-B2 Quinazolinedione chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-19 US disclosed
US-8377949-B2 Quinazolinedione chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-19 US disclosed
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 EP disclosed
US-20120122863-A1 Quinazolinedione Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
US-20120122863-A1 Quinazolinedione Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
WO-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (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-20120122863-A1 Quinazolinedione Chymase Inhibitors CMA1, CTSC, TPSG1 DPP4 6/4885SLC6A3 2147/4885TP53 2179/4885
US-10654846-B2 Autotaxin inhibitory compounds ENPP2, RNASE1, ATXN10 DPP4 1830/4885SLC6A3 3322/4885TP53 900/4885
US-20200283435-A1 Autotaxin Inhibitory Compunds ENPP2, RNASE1, ATXN10 DPP4 2147/4885SLC6A3 3537/4885TP53 983/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 DPP4 139/4885SLC6A3 1609/4885TP53 3627/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 DPP4 139/4885SLC6A3 1609/4885TP53 3627/4885
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS ENPP2, RNASE1, ATXN10 DPP4 1830/4885SLC6A3 3322/4885TP53 900/4885

“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.