SCHEMBL20501209

SCHEMBL20501209

COC(=O)c1ccc(Br)cc1S(=O)(=O)N(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.47
LMNA P02545 4/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.41
TARBP2 Q15633 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
GPR27 Q9NS67 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
SCHEMBL18659799 0.85 KDM4E (0.46) ALDH1A1MAPK1LMNAKMT2AHTT
SCHEMBL28060100 0.85 KDM4E (0.63) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL17078007 0.83 ELANE (0.38) ALDH1A1MAPK1GAAKMT2ACA1
SCHEMBL20501206 0.81 KMT2A (0.41) ALDH1A1MAPK1GAALMNAKMT2A
SCHEMBL21798567 0.81 KDM4E (0.53) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL19194087 0.77 KDM4E (0.59) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL21798595 0.77 KDM4E (0.49) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL20501207 0.77 KMT2A (0.41) ALDH1A1MAPK1GAALMNAKMT2A
SCHEMBL29569867 0.77 KMT2A (0.41) ALDH1A1MAPK1GAALMNAKMT2A
SCHEMBL1369472 0.76 NR4A2 (0.48) ALDH1A1GAAMAPTSMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
US-20230365519-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-16 US disclosed
US-20230365519-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-16 US disclosed
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-17 US disclosed
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-17 US disclosed
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-17 US disclosed
WO-2022074588-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREFOR KURES, INC. (US) 2022-04-14 WO disclosed
US-10844027-B2 Carboxylic diarylthiazepineamines as mu-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-11-24 US disclosed
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-12 US disclosed
US-20190047970-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AS MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-02-14 US disclosed
WO-2018170275-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-09-20 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 (6 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-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists OPRD1, OPRM1, OPRK1 ALDH1A1 577/4885MAPK1 1666/4885GAA 2298/4885
US-20190047970-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AS MU-OPIOID RECEPTOR AGONISTS OPRL1, OPRM1, OPRK1 ALDH1A1 1051/4885MAPK1 3213/4885GAA 3891/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 ALDH1A1 577/4885MAPK1 1666/4885GAA 2298/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 ALDH1A1 1878/4885MAPK1 1071/4885GAA 2250/4885
US-20230365519-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, CDKL1, H1-5 ALDH1A1 2675/4885MAPK1 1887/4885GAA 2550/4885
US-10844027-B2 Carboxylic diarylthiazepineamines as mu-opioid receptor agonists OPRL1, OPRM1, OPRK1 ALDH1A1 1051/4885MAPK1 3213/4885GAA 3891/4885

“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.