SCHEMBL2138235

SCHEMBL2138235

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
KLK5 Q9Y337 1/20 0.44
POLB P06746 1/20 0.43
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
SLC15A1 P46059 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2136702 0.87 POLB (0.50) SYKPOLBMAPTXBP1NPSR1
SCHEMBL2137498 0.84 SYK (0.49) SYKKLK5POLBMAPTXBP1
SCHEMBL12203687 0.82 SYK (0.58) SYKCTSBCTSK
SCHEMBL8972112 0.82 SYK (0.58) SYKCTSBCTSK
SCHEMBL2139404 0.82 CTSK (0.47) SYKKLK5POLBMAPTXBP1
SCHEMBL6157184 0.82 SYK (0.45) SYKPOLBMAPTXBP1NPSR1
SCHEMBL14778053 0.82 SYK (0.45) SYKPOLBMAPTXBP1NPSR1
SCHEMBL12144958 0.81 ALDH1A1 (0.47) SYKPOLBMAPTXBP1NPSR1
SCHEMBL2135542 0.81 POLB (0.46) SYKKLK5POLBMAPTXBP1
SCHEMBL12873000 0.81 KLK5 (0.57) SYKKLK5IL1RNERAP2ERAP1

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 1989/4885KLK5 743/4885POLB 4068/4885

“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.