SCHEMBL2139057

SCHEMBL2139057

Cc1sc(C2CCCN2C(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 2/20 0.39
AADAT Q8N5Z0 1/20 0.38

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
SCHEMBL2137255 0.88 NPSR1 (0.43) HSD17B10NPSR1LMNAL3MBTL1ALDH1A1
SCHEMBL2724717 0.85 NPC1 (0.37) ALDH1A1NPC1AADAT
SCHEMBL2708567 0.81 DPP4 (0.42) NPC1AADAT
SCHEMBL2141159 0.81 CYP1A2 (0.34) HSD17B10NPSR1LMNAL3MBTL1MEN1
SCHEMBL2708134 0.80 MEN1 (0.40) NPSR1LMNAALDH1A1MAPTMEN1
SCHEMBL2135766 0.79 L3MBTL1 (0.45) NPSR1LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL2135903 0.79 HTT (0.46) NPSR1LMNAL3MBTL1MEN1KMT2A
SCHEMBL2139521 0.78 L3MBTL1 (0.44) NPSR1LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL2136182 0.78 L3MBTL1 (0.44) NPSR1LMNAL3MBTL1ALDH1A1MEN1
SCHEMBL657227 0.78 NPC1 (0.43) HSD17B10NPSR1LMNAL3MBTL1ALDH1A1

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 HSD17B10 1447/4885NPSR1 2520/4885LMNA 4539/4885

“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.