SCHEMBL254627

SCHEMBL254627

CC(C)(C)OC(=O)N1CCC(O)C(C(=O)O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
GPR119 Q8TDV5 2/20 0.45
EPHX1 P07099 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 2/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 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
SCHEMBL6282931 0.91 HPGD (0.51) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL6279684 0.91 HPGD (0.51) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL8114809 0.88 HPGD (0.47) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL23692790 0.88 HPGD (0.47) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL25343328 0.88 HPGD (0.47) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL25289080 0.88 HPGD (0.47) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL16961994 0.88 HPGD (0.47) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL4533109 0.87 HPGD (0.49) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL4533108 0.87 HPGD (0.49) HPGDRECQLGPR119EPHX1HSD17B10
SCHEMBL4533115 0.87 HPGD (0.49) HPGDRECQLGPR119EPHX1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed
EP-1000030-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF Phytera Symbion ApS (DK) 2000-05-17 EP disclosed
WO-1999003832-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF PHYTERA SYMBION APS (DK) 1999-01-28 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 (2 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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 HPGD 931/4885RECQL 2244/4885GPR119 425/4885
US-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IKZF3, INTS9, CYP2C9 HPGD 3009/4885RECQL 446/4885GPR119 366/4885

“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.