SCHEMBL942785

SCHEMBL942785

COc1cc(S(C)(=O)=O)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 4/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
MITF O75030 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 1/20 0.45

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
SCHEMBL8012388 0.89 KMT2A (0.48) KMT2AMEN1POLBMAPTNPC1
SCHEMBL26376259 0.84 MAPT (0.52) KMT2AMEN1POLBMAPTNPC1
SCHEMBL22119506 0.83 ALDH1A1 (0.49) KMT2AMEN1POLBMAPTNPC1
SCHEMBL5196123 0.82 TDP1 (0.56) KMT2AMEN1POLBMAPTNPC1
SCHEMBL4421604 0.82 TDP1 (0.60) KMT2AMEN1POLBMAPTNPC1
SCHEMBL25910681 0.81 DHODH (0.54) KMT2AMEN1POLBMAPTNPC1
SCHEMBL23182973 0.80 KMT2A (0.55) KMT2AMEN1POLBMAPTNPC1
SCHEMBL2146277 0.80 ALDH1A1 (0.59) KMT2AMEN1POLBMAPTNPC1
SCHEMBL26931850 0.80 KMT2A (0.52) KMT2AMEN1POLBMAPTNPC1
SCHEMBL23155481 0.80 PTPN1 (0.47) KMT2AMEN1POLBMAPTNPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003856-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
EP-2146952-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2010-01-27 EP disclosed
EP-2125704-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2009-12-02 EP disclosed
WO-2008101885-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 WO disclosed
WO-2008101886-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 WO 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 (2 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-20110003856-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 KMT2A 3112/4885MEN1 1310/4885POLB 2323/4885
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 KMT2A 3112/4885MEN1 1310/4885POLB 2323/4885

“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.