SCHEMBL14906005

SCHEMBL14906005

CCOC(=O)CCC(=O)N(CCO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.35
TRPA1 O75762 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 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
SCHEMBL22216388 0.77 GAA (0.48) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL15987339 0.77 SMN1; SMN2 (0.46) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL18184074 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1EPHX2KMT2A
SCHEMBL14905949 0.75 SMN1; SMN2 (0.45) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1
Succinic Acid Diethyl Ester SCHEMBL4430582 0.74 GAA (0.57) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL15997274 0.72 SMN1; SMN2 (0.43) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1
Succinic Acid Diethyl Ester SCHEMBL28083672 0.72 GAA (0.60) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL64362 0.72 ALDH1A1 (0.46) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL7333667 0.72 CYP1A2 (0.45) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL64281 0.72 ALDH1A1 (0.46) SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772490-B1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2016-04-06 EP disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
EP-2772490-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
WO-2013062065-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE アステラス製薬株式会社 (JP) 2013-05-02 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 (1 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-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI SMN1; SMN2 4486/4885CYP4F2 1786/4885CYP4A11 2733/4885

“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.