SCHEMBL17078023

SCHEMBL17078023

COC(=O)c1ccccc1S(=O)(=O)Nc1ccsc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
SLC40A1 Q9NP59 1/20 0.49
BRD4 O60885 3/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN5 P54829 1/20 0.48
IDH1 O75874 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2741010 0.83 NPC1 (0.66) KMT2AMEN1CA1CA2CA5A
SCHEMBL17078013 0.82 IDH1 (0.53) IDH1TP53HSD17B10
SCHEMBL19182212 0.82 CCKBR (0.43) KMT2AMEN1MAPTBRD4IDH1
SCHEMBL30014317 0.79 BRD4 (0.50) KMT2AMEN1SLC40A1BRD4PTPN2
SCHEMBL96178 0.78 KMT2A (0.63) KMT2AMEN1CA1CA2CA5A
SCHEMBL12167785 0.78 MMP2 (0.67) KMT2AMEN1CA1CA2CA5A
SCHEMBL14150131 0.78 MEN1 (0.63) KMT2AMEN1CA1CA2CA5A
SCHEMBL19180007 0.76 SLC40A1 (0.56) KMT2AMEN1CA1CA2CA5A
SCHEMBL15482267 0.75 MMP2 (0.60) KMT2AMEN1CA1CA2CA5A
SCHEMBL14106146 0.75 KMT2A (0.59) KMT2AMEN1CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092802-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR KURES, INC. 2024-03-21 US disclosed
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 EP disclosed
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 EP disclosed
US-20220106279-A1 CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-04-07 US disclosed
US-20220106279-A1 CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-04-07 US disclosed
CN-106535901-B Mu-opioid receptor agonists 哥伦比亚大学董事会 2020-03-31 CN disclosed
US-20190084949-A1 NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-21 US disclosed
US-20190084949-A1 NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-21 US disclosed
US-10183919-B2 Class of mu-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-01-22 US disclosed
US-10183919-B2 Class of mu-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-01-22 US disclosed
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-03 US disclosed
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-03 US disclosed
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-03 US disclosed
EP-3116509-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS The Trustees of Columbia University in the City of New York (US) 2017-01-18 EP disclosed
WO-2015138791-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-09-17 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 (5 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-20240092802-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR OPRL1, OPRM1, CDKL5 KMT2A 203/4885MEN1 3488/4885CA1 4222/4885
US-10183919-B2 Class of mu-opioid receptor agonists OPRM1, OPRL1, OPRK1 KMT2A 1768/4885MEN1 4601/4885CA1 3391/4885
US-20220106279-A1 CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 KMT2A 1768/4885MEN1 4601/4885CA1 3391/4885
US-20190084949-A1 NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 KMT2A 1847/4885MEN1 4732/4885CA1 4040/4885
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 KMT2A 1796/4885MEN1 4738/4885CA1 4029/4885

“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.