SCHEMBL16797645

SCHEMBL16797645

CCOC(=O)CC1Cc2ccccc2OC(C)(C)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
KCNH2 Q12809 1/20 0.51
GRIN2B Q13224 1/20 0.51
MIF P14174 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
APEX1 P27695 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
SCHEMBL16809563 0.87 KCNH2 (0.53) SIGMAR1KCNH2GRIN2BMIFALDH1A1
SCHEMBL16809670 0.87 SIGMAR1 (0.52) SIGMAR1KCNH2GRIN2BMIFALDH1A1
SCHEMBL16809424 0.86 KCNH2 (0.55) SIGMAR1KCNH2GRIN2BMIFALDH1A1
SCHEMBL16809696 0.81 SIGMAR1 (0.49) SIGMAR1KCNH2GRIN2BMIFL3MBTL1
SCHEMBL9692745 0.80 SIGMAR1 (0.42) SIGMAR1KCNH2GRIN2BALDH1A1MAPT
SCHEMBL18169340 0.78 PPARG (0.36) SIGMAR1KCNH2GRIN2BALDH1A1MAPT
SCHEMBL16809472 0.77 SIGMAR1 (0.41) SIGMAR1POLBKDM4E
SCHEMBL16797662 0.76 SIGMAR1 (0.47) SIGMAR1KCNH2GRIN2BALDH1A1MAPT
SCHEMBL16809545 0.75 SIGMAR1 (0.43) SIGMAR1
SCHEMBL19905634 0.74 SIGMAR1 (0.48) SIGMAR1KCNH2GRIN2BMIFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081615-B2 Sulfamate derivative compounds for use in treating or alleviating pain BIO-PHARM SOLUTIONS CO., LTD. (KR) 2018-09-25 US disclosed
EP-3079687-B1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO LTD (KR) 2018-02-28 EP disclosed
EP-3079687-B1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO LTD (KR) 2018-02-28 EP disclosed
US-20160311792-A1 Sulfamate Derivative Compounds for Use in Treating or Alleviating Pain BIO-PHARM SOLUTIONS CO., LTD. (KR) 2016-10-27 US disclosed
US-20160311792-A1 Sulfamate Derivative Compounds for Use in Treating or Alleviating Pain BIO-PHARM SOLUTIONS CO., LTD. (KR) 2016-10-27 US disclosed
US-20160311792-A1 Sulfamate Derivative Compounds for Use in Treating or Alleviating Pain BIO-PHARM SOLUTIONS CO., LTD. (KR) 2016-10-27 US disclosed
EP-3079687-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 EP disclosed
WO-2015088272-A9 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-10-01 WO disclosed
WO-2015088272-A9 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-10-01 WO disclosed
WO-2015088272-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-06-18 WO disclosed
WO-2015088272-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-06-18 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-20160311792-A1 Sulfamate Derivative Compounds for Use in Treating or Alleviating Pain SULT2A1, SULT1A1, TRPV1 SIGMAR1 322/4885KCNH2 1418/4885GRIN2B 297/4885
US-10081615-B2 Sulfamate derivative compounds for use in treating or alleviating pain SULT2A1, SULT1A1, TRPV1 SIGMAR1 322/4885KCNH2 1418/4885GRIN2B 297/4885

“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.