SCHEMBL4452260

SCHEMBL4452260

N#CCC(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
CYP19A1 P11511 2/20 0.47
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNA5 P22460 2/20 0.43
GAA P10253 1/20 0.42
CYP17A1 P05093 1/20 0.42
TSHR P16473 1/20 0.42
KCNH2 Q12809 1/20 0.41
IDO1 P14902 1/20 0.40
CYP51A1 Q16850 5/20 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
SCHEMBL4452256 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL6280604 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL6344248 0.81 CYP19A1 (0.50) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL128718 0.79 CFTR (0.53) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL12303932 0.79 CYP19A1 (0.47) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL25233552 0.77 SMN1; SMN2 (0.57) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL6075149 0.77 SMN1; SMN2 (0.57) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL1678107 0.77 CYP3A4 (0.37) SMN1; SMN2CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL6074158 0.77 SMN1; SMN2 (0.57) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL6372735 0.77 SMN1; SMN2 (0.57) SMN1; SMN2CYP19A1CFTRSLC6A2SLC6A4

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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
CN-105367583-A THIENO[2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH 2016-03-02 CN disclosed
CN-102459280-B Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-14 CN disclosed
CN-100510093-C Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative SALTIGO GMBH (DE) 2009-07-08 CN disclosed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US disclosed
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives BERENDES FRANK 2006-11-23 US disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US disclosed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN 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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SMN1; SMN2 4276/4885CYP19A1 359/4885CFTR 4515/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SMN1; SMN2 4276/4885CYP19A1 359/4885CFTR 4515/4885

“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.