SCHEMBL2139397

SCHEMBL2139397

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CTSK P43235 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 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
SCHEMBL2139616 1.00 SYK (0.42) SYKLTA4HALDH1A1CTSKCA1
SCHEMBL2137495 0.91 SYK (0.46) SYKLTA4HALDH1A1MAPK1L3MBTL1
SCHEMBL2138671 0.91 SYK (0.46) SYKLTA4HALDH1A1MAPK1L3MBTL1
SCHEMBL2136696 0.84 POLB (0.46) SYKALDH1A1POLB
SCHEMBL2138277 0.84 POLB (0.46) SYKALDH1A1POLB
SCHEMBL2707664 0.82 SYK (0.43) SYKALDH1A1MAPK1L3MBTL1POLB
SCHEMBL2138231 0.82 SYK (0.43) SYKALDH1A1MAPK1L3MBTL1POLB
SCHEMBL17369164 0.81 SYK (0.46) SYKLTA4HALDH1A1CTSKCA1
SCHEMBL25288029 0.80 ALDH1A1 (0.41) SYKLTA4HALDH1A1MAPK1L3MBTL1
SCHEMBL25250386 0.80 ALDH1A1 (0.41) SYKLTA4HALDH1A1MAPK1L3MBTL1

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 1989/4885LTA4H 978/4885ALDH1A1 2623/4885

“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.