SCHEMBL2138231

SCHEMBL2138231

CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC15A1 P46059 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL2707664 1.00 SYK (0.43) SYKPOLBMAPTXBP1NPSR1
SCHEMBL2138277 0.88 POLB (0.46) SYKPOLBMAPTXBP1NPSR1
SCHEMBL2136696 0.88 POLB (0.46) SYKPOLBMAPTXBP1NPSR1
SCHEMBL2137495 0.84 SYK (0.46) SYKPOLBMAPTXBP1NPSR1
SCHEMBL2138671 0.84 SYK (0.46) SYKPOLBMAPTXBP1NPSR1
SCHEMBL2139397 0.82 SYK (0.42) SYKPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL2139616 0.82 SYK (0.42) SYKPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL21878244 0.81 AKT1 (0.45) SYKPOLBMAPTXBP1NPSR1
SCHEMBL21878242 0.81 AKT1 (0.45) SYKPOLBMAPTXBP1NPSR1
SCHEMBL2140325 0.79 POLB (0.44) SYKPOLBMAPTXBP1NPSR1

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 SYK 1989/4885POLB 4068/4885MAPT 4390/4885

“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.