SCHEMBL21798595

SCHEMBL21798595

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
LMNA P02545 6/20 0.47
ALDH1A1 P00352 2/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
MAPT P10636 4/20 0.44
PGR P06401 1/20 0.43
GPR27 Q9NS67 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21798567 0.90 KDM4E (0.53) KDM4ELMNAALDH1A1MCOLN3MAPT
SCHEMBL20501206 0.86 KMT2A (0.41) KDM4ELMNAALDH1A1MCOLN3KMT2A
SCHEMBL29569867 0.86 KMT2A (0.41) KDM4ELMNAALDH1A1MCOLN3MAPT
SCHEMBL20501207 0.86 KMT2A (0.41) KDM4ELMNAALDH1A1MCOLN3MAPT
SCHEMBL28060100 0.81 KDM4E (0.63) KDM4ELMNAALDH1A1MCOLN3MAPT
SCHEMBL19194087 0.81 KDM4E (0.59) KDM4ELMNAALDH1A1MCOLN3PGR
SCHEMBL20501209 0.77 ALDH1A1 (0.49) KDM4ELMNAALDH1A1MCOLN3MAPT
SCHEMBL20501221 0.76 POLB (0.43) LMNAALDH1A1MCOLN3MAPTKMT2A
SCHEMBL1466405 0.74 CA1 (0.52) KDM4ELMNAALDH1A1MAPTPGR
SCHEMBL6542414 0.73 CA1 (0.49) KDM4ELMNAMCOLN3MAPTPGR

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 1278/4885LMNA 1921/4885ALDH1A1 577/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 KDM4E 1278/4885LMNA 1921/4885ALDH1A1 577/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 KDM4E 126/4885LMNA 2827/4885ALDH1A1 1878/4885

“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.