SCHEMBL3587299

SCHEMBL3587299

Cc1cn(CC(=O)OC(C)(C)C)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
RXFP1 Q9HBX9 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
GLA P06280 1/20 0.34
FPR2 P25090 3/20 0.34
MITF O75030 1/20 0.34
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
PLA2G7 Q13093 1/20 0.33
ALPL P05186 1/20 0.33
PLAA Q9Y263 1/20 0.33

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
SCHEMBL22058063 0.84 KDM4E (0.39) ALDH1A1KDM4EKMT2AHDAC6FPR2
SCHEMBL3580979 0.84 FPR2 (0.38) ALDH1A1KDM4EKMT2AHDAC6FPR2
SCHEMBL3591115 0.83 CYP19A1 (0.45) ALDH1A1KDM4EKMT2AHDAC6FPR2
SCHEMBL13384299 0.80 FPR2 (0.35) ALDH1A1KDM4EKMT2AHDAC6GLA
SCHEMBL15724297 0.78 KDM4E (0.33) ALDH1A1KDM4EKMT2AHDAC6GPR119
SCHEMBL4453709 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ARXFP1PKM
SCHEMBL15335292 0.74 ALPL (0.47) ALDH1A1KDM4EKMT2AHDAC6FPR2
SCHEMBL13712183 0.74 HTT (0.40) KMT2ARXFP1PKMALPLPLAA
SCHEMBL29887044 0.73 GPR119 (0.43) RXFP1GPR119L3MBTL1
SCHEMBL16293902 0.72 HDAC6 (0.41) ALDH1A1KDM4EKMT2AHDAC6FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-12-31 US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1988900-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-11-12 EP disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 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 (7 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-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885KMT2A 1905/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885KMT2A 1905/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885KMT2A 1905/4885
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 ALDH1A1 4225/4885KDM4E 3034/4885KMT2A 1640/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 ALDH1A1 4225/4885KDM4E 3034/4885KMT2A 1640/4885
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 ALDH1A1 1431/4885KDM4E 3976/4885KMT2A 4686/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALDH1A1 971/4885KDM4E 3447/4885KMT2A 3866/4885

“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.