SCHEMBL2136702

SCHEMBL2136702

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SYK P43405 1/20 0.46
NTSR1 P30989 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2138235 0.87 SYK (0.45) POLBSYKMAPTXBP1NPSR1
SCHEMBL2137498 0.86 SYK (0.49) POLBSYKMAPTXBP1NPSR1
SCHEMBL12203687 0.84 SYK (0.58) SYK
SCHEMBL8972112 0.84 SYK (0.58) SYK
SCHEMBL2139404 0.84 CTSK (0.47) POLBSYKMAPTXBP1NPSR1
SCHEMBL12144958 0.83 ALDH1A1 (0.47) POLBSYKMAPTXBP1NPSR1
SCHEMBL2135542 0.83 POLB (0.46) POLBSYKMAPTXBP1NPSR1
SCHEMBL2140333 0.82 POLB (0.53) POLBSYKNTSR1MAPTL3MBTL1
SCHEMBL22692566 0.81 ALDH1A1 (0.58) MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL14778053 0.81 SYK (0.45) POLBSYKMAPTXBP1NPSR1

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 4068/4885SYK 1989/4885NTSR1 2018/4885

“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.