SCHEMBL2137226

SCHEMBL2137226

CCN(CCC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 1/20 0.43
SYK P43405 1/20 0.42
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM5 P08912 1/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
TSHR P16473 1/20 0.40
NR4A1 P22736 1/20 0.40
CA4 P22748 2/20 0.39
AKT1 P31749 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2135528 0.90 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1SYKCHRM2
SCHEMBL418232 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1SYKCA1
SCHEMBL5557245 0.84 CA1 (0.51) ALDH1A1L3MBTL1MAPK1SYKCA1
SCHEMBL7737502 0.84 CA1 (0.51) ALDH1A1L3MBTL1MAPK1SYKCA1
SCHEMBL8134806 0.84 SYK (0.40) ALDH1A1L3MBTL1MAPK1SYKCHRM2
SCHEMBL27425114 0.84 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1SYKLMNA
SCHEMBL8132756 0.83 SYK (0.40) ALDH1A1L3MBTL1MAPK1SYKCHRM2
SCHEMBL18515899 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1SYKCA1
SCHEMBL3903941 0.82 L3MBTL1 (0.45) ALDH1A1L3MBTL1MAPK1SYKLMNA
SCHEMBL23205643 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1CHRM2CHRM4

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 ALDH1A1 2623/4885L3MBTL1 4632/4885MAPK1 718/4885

“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.