SCHEMBL20501221

SCHEMBL20501221

COC(=O)c1cc(F)c(Cl)cc1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
ALPL P05186 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
CDK1 P06493 1/20 0.39
ACLY P53396 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP2 Q13822 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL19682396 0.94 GAA (0.42) POLBAPEX1ALPLALDH1A1HPGD
SCHEMBL20449571 0.88 GAA (0.43) POLBAPEX1ALDH1A1HPGDGAA
SCHEMBL21798603 0.87 GAA (0.46) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL20501201 0.83 SIRT6 (0.45) POLBAPEX1ALDH1A1HPGDGAA
SCHEMBL20501193 0.83 CFTR (0.38) POLBAPEX1ALDH1A1HPGDGAA
SCHEMBL18982096 0.81 MAPT (0.45) POLBAPEX1ALDH1A1HPGDGAA
SCHEMBL21865574 0.81 PKM (0.47) POLBAPEX1ALDH1A1HPGDCDK1
SCHEMBL29835245 0.81 PKM (0.47) POLBAPEX1ALDH1A1HPGDCDK1
SCHEMBL31503298 0.80 SIRT6 (0.45) ALDH1A1HPGDGAAMAPTCDK1
SCHEMBL31568318 0.80 SIRT6 (0.45) ALDH1A1HPGDGAAMAPTCDK1

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 7 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-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
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 (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 POLB 3154/4885APEX1 4478/4885ALPL 3389/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 POLB 3154/4885APEX1 4478/4885ALPL 3389/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 POLB 2671/4885APEX1 4727/4885ALPL 3778/4885

“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.