SCHEMBL8770957

SCHEMBL8770957

O=C(O)CC(O)c1ccccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.49
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
BRD4 O60885 1/20 0.47
ALPG P10696 1/20 0.46
PTK2B Q14289 1/20 0.46
MMP12 P39900 1/20 0.46
SGMS2 Q8NHU3 5/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
LIPE Q05469 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL28072649 0.86 SLC6A9 (0.48) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8770885 0.85 BRD4 (0.49) BRD4SGMS2ALDH1A1LMNATDP1
SCHEMBL8770936 0.83 MRGPRX4 (0.47) PTGER1BRD4ALDH1A1LMNALIPE
SCHEMBL8770890 0.82 RXRA (0.43) PTGER1PTGER4PTGER3PTGER2BRD4
SCHEMBL16797593 0.82 SGMS2 (0.49) ALPGPTK2BSGMS2ALDH1A1LMNA
SCHEMBL7153668 0.82 SGMS2 (0.49) ALPGPTK2BSGMS2ALDH1A1LMNA
SCHEMBL12322209 0.82 SGMS2 (0.49) ALPGPTK2BSGMS2ALDH1A1LMNA
SCHEMBL16797701 0.82 SGMS2 (0.49) ALPGPTK2BSGMS2ALDH1A1LMNA
SCHEMBL16797699 0.82 SGMS2 (0.49) ALPGPTK2BSGMS2ALDH1A1LMNA
SCHEMBL11603988 0.81 MAPT (0.55) BRD4ALPGPTK2BSGMS2ALDH1A1

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
CN-105979942-B For treatment or lenitive sulfamate derivatives 比皮艾思药物研发有限公司 2018-12-07 CN disclosed
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
EP-3079687-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 EP disclosed
CN-105979942-A Sulfamate derivative compounds for use in treating or alleviating pain 比皮艾思药物研发有限公司 2016-09-28 CN 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
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 EP 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 PTGER1 637/4885PTGER4 456/4885PTGER3 339/4885
US-10081615-B2 Sulfamate derivative compounds for use in treating or alleviating pain SULT2A1, SULT1A1, TRPV1 PTGER1 637/4885PTGER4 456/4885PTGER3 339/4885

“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.