SCHEMBL16809663

SCHEMBL16809663

OCC1Cc2ccccc2OC2(CCCCC2)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TMEM97 Q5BJF2 1/20 0.34
HTR1A P08908 3/20 0.34
ADRA1B P35368 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.33

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
SCHEMBL16809543 0.99 SIGMAR1 (0.42) SIGMAR1HPGDTSHRTMEM97HTR1A
SCHEMBL16809562 0.89 SIGMAR1 (0.44) SIGMAR1
SCHEMBL16809671 0.87 SIGMAR1 (0.44) SIGMAR1
SCHEMBL16809472 0.81 SIGMAR1 (0.41) SIGMAR1HPGDTSHR
SCHEMBL19894315 0.80 CA2 (0.37) HPGDTSHRHTR1AADRA1BADRA1D
SCHEMBL19894310 0.78 CA2 (0.38) HTR1AADRA1BADRA1D
SCHEMBL19894334 0.78 CA2 (0.36) SIGMAR1HPGDTSHRHTR1AADRA1B
SCHEMBL16809653 0.78 KCNH2 (0.35) SIGMAR1HPGDTSHRHTR1AADRA1B
SCHEMBL16809424 0.78 KCNH2 (0.55) SIGMAR1
SCHEMBL19894296 0.78 ALDH1A1 (0.35) SIGMAR1HPGDTSHR

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 8 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
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 SIGMAR1 322/4885HPGD 242/4885TSHR 4463/4885
US-10081615-B2 Sulfamate derivative compounds for use in treating or alleviating pain SULT2A1, SULT1A1, TRPV1 SIGMAR1 322/4885HPGD 242/4885TSHR 4463/4885

“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.