SCHEMBL2139404

SCHEMBL2139404

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
MAPT P10636 1/20 0.47
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SYK P43405 1/20 0.45
POLB P06746 2/20 0.41
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL2137498 0.91 SYK (0.49) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL2136702 0.84 POLB (0.50) MAPTXBP1NPSR1TDP1SYK
SCHEMBL10420678 0.82 CTSK (0.53) CTSKTDP1POLB
SCHEMBL2138235 0.82 SYK (0.45) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL18634633 0.82 CA2 (0.47) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL973865 0.82 CA2 (0.47) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL12873003 0.81 PPARA (0.57) CTSKSYK
SCHEMBL12203688 0.81 PPARA (0.57) CTSKSYK
SCHEMBL12570556 0.80 SYK (0.47) MAPTXBP1NPSR1TDP1SYK
SCHEMBL8972112 0.79 SYK (0.58) CTSKSYK

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 CTSK 618/4885MAPT 4390/4885XBP1 1259/4885

“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.