SCHEMBL21798567

SCHEMBL21798567

COC(=O)c1cc(Cl)c(Cl)cc1S(=O)(=O)N(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
MCOLN3 Q8TDD5 1/20 0.51
LMNA P02545 6/20 0.51
ALDH1A1 P00352 2/20 0.51
PGR P06401 1/20 0.47
GPR27 Q9NS67 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL21798595 0.90 KDM4E (0.49) KDM4EMCOLN3LMNAALDH1A1PGR
SCHEMBL19194087 0.86 KDM4E (0.59) KDM4EMCOLN3LMNAALDH1A1PGR
SCHEMBL28060100 0.86 KDM4E (0.63) KDM4EMCOLN3LMNAALDH1A1PGR
SCHEMBL20501209 0.81 ALDH1A1 (0.49) KDM4EMCOLN3LMNAALDH1A1GPR27
SCHEMBL20501206 0.80 KMT2A (0.41) KDM4EMCOLN3LMNAALDH1A1KMT2A
SCHEMBL29569867 0.80 KMT2A (0.41) KDM4EMCOLN3LMNAALDH1A1KMT2A
SCHEMBL20501207 0.80 KMT2A (0.41) KDM4EMCOLN3LMNAALDH1A1KMT2A
SCHEMBL6542414 0.77 CA1 (0.49) KDM4EMCOLN3LMNAPGRGPR27
SCHEMBL11232067 0.75 KDM4E (0.61) KDM4EMCOLN3LMNAALDH1A1PGR
SCHEMBL28066164 0.74 KDM4E (0.69) KDM4EMCOLN3LMNAALDH1A1PGR

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-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-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-2022074589-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREFOR KURES, INC. (US) 2022-04-14 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KDM4E 1278/4885MCOLN3 1671/4885LMNA 1921/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 KDM4E 1278/4885MCOLN3 1671/4885LMNA 1921/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 KDM4E 126/4885MCOLN3 1341/4885LMNA 2827/4885

“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.