SCHEMBL2138671

SCHEMBL2138671

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
PPARA Q07869 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
SCHEMBL2137495 1.00 SYK (0.46) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL2139397 0.91 SYK (0.42) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL2139616 0.91 SYK (0.42) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL2138277 0.86 POLB (0.46) SYKALDH1A1POLBMAPTXBP1
SCHEMBL2136696 0.86 POLB (0.46) SYKALDH1A1POLBMAPTXBP1
SCHEMBL2707664 0.84 SYK (0.43) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL2138231 0.84 SYK (0.43) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL18901917 0.84 ALDH1A1 (0.51) SYKALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL12439801 0.82 SYK (0.41) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL1149587 0.81 SYK (0.40) SYKALDH1A1L3MBTL1MAPK1POLB

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 1989/4885ALDH1A1 2623/4885L3MBTL1 4632/4885

“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.