SCHEMBL19182003

SCHEMBL19182003

COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GRIK1 P39086 1/20 0.39
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
GPR27 Q9NS67 1/20 0.38
POLB P06746 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
KDR P35968 2/20 0.37
IDH1 O75874 1/20 0.36
NR4A2 P43354 2/20 0.36
CMA1 P23946 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17078007 0.86 ELANE (0.38) NR4A2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL19181393 0.83 CA1 (0.50) KDM4EMCOLN3ALDH1A1TSHRL3MBTL1
SCHEMBL28060100 0.83 KDM4E (0.63) ABL1KDM4EGPR27MCOLN3ALDH1A1
SCHEMBL17078013 0.76 IDH1 (0.53) ABL1GRIK1FLT1FLT4KDR
SCHEMBL8627703 0.74 ABL1 (0.48) ABL1KDM4EPOLBMCOLN3FLT1
SCHEMBL19194087 0.73 KDM4E (0.59) ABL1KDM4EGPR27MCOLN3ALDH1A1
SCHEMBL5452555 0.72 ABL1 (0.58) ABL1KDM4EPOLBMCOLN3FLT1
SCHEMBL6542414 0.72 CA1 (0.49) ABL1KDM4EGPR27MCOLN3L3MBTL1
SCHEMBL21962924 0.71 CA2 (0.61) ABL1KDM4EFLT1FLT4KDR
SCHEMBL5332370 0.71 ABL1 (0.57) ABL1KDM4EPOLBMCOLN3FLT1

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 12 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
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

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 ABL1 2330/4885KDM4E 812/4885GRIK1 145/4885
US-10183919-B2 Class of mu-opioid receptor agonists OPRM1, OPRL1, OPRK1 ABL1 1417/4885KDM4E 2011/4885GRIK1 476/4885
US-20220106279-A1 CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 ABL1 1417/4885KDM4E 2011/4885GRIK1 476/4885
US-20190084949-A1 NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 ABL1 1602/4885KDM4E 2088/4885GRIK1 415/4885
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 ABL1 1653/4885KDM4E 2093/4885GRIK1 433/4885

“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.