SCHEMBL16809653

SCHEMBL16809653

CC(C)(C)C(=O)OCC1Cc2ccccc2OC2(CCCCC2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 2/20 0.32
ADRA1B P35368 2/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL16809555 0.99 PPARG (0.35) KCNH2GRIN2BPOLBGAAMAPK1
SCHEMBL18169340 0.86 PPARG (0.36) KCNH2GRIN2BPOLBGAAALDH1A1
SCHEMBL16809474 0.82 PPARG (0.37) KCNH2GRIN2BPOLBGAAALDH1A1
SCHEMBL16809424 0.80 KCNH2 (0.55) KCNH2GRIN2BPOLBGAAALDH1A1
SCHEMBL16809563 0.79 KCNH2 (0.53) KCNH2GRIN2BPOLBGAAALDH1A1
SCHEMBL16809663 0.78 SIGMAR1 (0.41) SIGMAR1HPGDTSHRHTR1AADRA1B
SCHEMBL16809702 0.77 CA2 (0.50) MAPK1ALDH1A1MAPTL3MBTL1SIGMAR1
SCHEMBL16809543 0.77 SIGMAR1 (0.42) SIGMAR1HPGDTSHRHTR1AADRA1B
SCHEMBL16809562 0.76 SIGMAR1 (0.44) L3MBTL1SIGMAR1
SCHEMBL18169277 0.76 CA2 (0.51) SIGMAR1HTR1AADRA1BADRA1D

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 7 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
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
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

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 KCNH2 1418/4885GRIN2B 297/4885POLB 4621/4885
US-10081615-B2 Sulfamate derivative compounds for use in treating or alleviating pain SULT2A1, SULT1A1, TRPV1 KCNH2 1418/4885GRIN2B 297/4885POLB 4621/4885

“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.