SCHEMBL2139461

SCHEMBL2139461

CC(NCCCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 1/20 0.44
SYK P43405 1/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7438634 0.86 HTT (0.49) POLBHTTALDH1A1L3MBTL1MAPK1
SCHEMBL30393420 0.86 SMN1; SMN2 (0.47) HTTSYKALDH1A1L3MBTL1MAPK1
SCHEMBL31538721 0.86 L3MBTL1 (0.48) POLBSYKALDH1A1L3MBTL1MAPK1
SCHEMBL6902424 0.85 POLB (0.51) POLBSYKALDH1A1L3MBTL1MAPK1
SCHEMBL23685339 0.84 POLB (0.52) POLBSYKALDH1A1L3MBTL1GAA
SCHEMBL12972615 0.83 ALDH1A1 (0.50) POLBSYKALDH1A1GAAMEN1
SCHEMBL2134853 0.82 POLB (0.49) POLBSYKALDH1A1L3MBTL1MAPT
SCHEMBL2137272 0.82 POLB (0.49) POLBSYKALDH1A1L3MBTL1MAPT
SCHEMBL2134843 0.82 POLB (0.49) POLBSYKALDH1A1L3MBTL1MAPT
SCHEMBL22987362 0.81 LMNA (0.53) POLBHTTSYKL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2447265-A1 NOVEL THIOPHENE CARBOXAMIDE DERIVATIVE AND MEDICINAL USE OF SAME Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2012-05-02 EP disclosed
US-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2012-04-26 US 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-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF GCK, GCKR, HK2 POLB 4068/4885HTT 1760/4885SYK 1989/4885

“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.