SCHEMBL351848

SCHEMBL351848

COC(=O)c1c(N)sc2c1CCNC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.73
ALDH1A1 P00352 14/20 0.49
GAA P10253 5/20 0.49
PTPRC P08575 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
MAPT P10636 12/20 0.46
KDM4E B2RXH2 9/20 0.46
HPGD P15428 8/20 0.46
HSD17B10 Q99714 7/20 0.46
ALOX15 P16050 5/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
THRB P10828 1/20 0.42
CXCR2 P25025 1/20 0.42
TSHR P16473 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 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
Hydrochloric Acid SCHEMBL351847 0.99 ADORA1 (0.74) ADORA1ALDH1A1GAAPTPRCPTPN2
Hydrochloric Acid SCHEMBL10859701 0.88 ADORA1 (0.60) ADORA1ALDH1A1GAAMAPTKDM4E
SCHEMBL16020405 0.85 ADORA1 (0.57) ADORA1ALDH1A1PTPRCPTPN2PTPN1
SCHEMBL6991999 0.85 ADORA1 (1.00) ADORA1ALDH1A1GAAMAPTKDM4E
Hydrochloric Acid SCHEMBL22392262 0.83 ADORA1 (1.00) ADORA1ALDH1A1GAAMAPTKDM4E
SCHEMBL30477005 0.81 ADORA1 (0.63) ADORA1ALDH1A1GAAPTPRCPTPN2
SCHEMBL8289857 0.81 ADORA1 (0.63) ADORA1ALDH1A1GAAPTPRCPTPN2
SCHEMBL13151244 0.81 PTPRC (0.52) ADORA1ALDH1A1PTPRCPTPN2PTPN1
Hydrochloric Acid SCHEMBL28923959 0.80 ADORA1 (0.64) ADORA1ALDH1A1GAAPTPRCPTPN2
SCHEMBL2179728 0.78 ALDH1A1 (0.70) ALDH1A1GAAMAPTKDM4EHPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227955-B2 Compound having angiogenesis inhibitory activity, method for preparing same, and pharmaceutical composition comprising same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2016-01-05 US disclosed
US-9227955-B2 Compound having angiogenesis inhibitory activity, method for preparing same, and pharmaceutical composition comprising same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2016-01-05 US disclosed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2014-09-11 US disclosed
US-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2014-09-11 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 WO disclosed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 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 (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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ADORA1 2186/4885ALDH1A1 4088/4885GAA 816/4885
US-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same VEGFA, EDF1, FLT1 ADORA1 2273/4885ALDH1A1 1208/4885GAA 788/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ADORA1 2186/4885ALDH1A1 4088/4885GAA 816/4885

“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.