SCHEMBL313449

SCHEMBL313449

CCOC(=O)CC(O)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 3/20 0.51
ALDH1A1 P00352 6/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.43
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
CASP1 P29466 1/20 0.41
CYP3A4 P08684 2/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL5929583 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL5929560 0.84 KCNA5 (0.53) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL5929553 0.84 KCNA5 (0.53) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL1077616 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL1051991 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL7321879 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MEN1GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL5742023 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL22763608 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL25256885 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL4508061 0.81 CYP2C19 (0.43) SMN1; SMN2MEN1GAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP disclosed
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1471056-B1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-07-11 EP disclosed
EP-1471056-B1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-07-11 EP disclosed
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-8093403-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives BERENDES FRANK 2006-11-23 US disclosed
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 US disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed
EP-0210883-B1 Derivatives of penem DAIICHI SEIYAKU CO (JP) 1995-02-01 EP disclosed
US-5079357-A Bactericides DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-01-07 US disclosed
US-4962202-A PENICILLIN INTERMEDIATES DAIICHI SEIYAKU CO., LTD. (JP) 1990-10-09 US disclosed
EP-0210883-A2 Derivatives of penem DAIICHI SEIYAKU CO., LTD. (JP) 1987-02-04 EP 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 (4 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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 SMN1; SMN2 4667/4885MEN1 389/4885GAA 2559/4885
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 SMN1; SMN2 4664/4885MEN1 375/4885GAA 2538/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO SMN1; SMN2 4683/4885MEN1 4424/4885GAA 1272/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SMN1; SMN2 4276/4885MEN1 4409/4885GAA 636/4885

“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.