SCHEMBL20501201

SCHEMBL20501201

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.45
SOS1 Q07889 1/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CDK1 P06493 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
ACLY P53396 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL31503298 0.94 SIRT6 (0.45) SIRT6SOS1CA2CA1CA5A
SCHEMBL31568318 0.94 SIRT6 (0.45) SIRT6SOS1CA2CA1CA5A
SCHEMBL20501221 0.83 POLB (0.43) CDK1TSHRLMNAGAAMAPT
SCHEMBL20501193 0.82 CFTR (0.38) SIRT6SOS1CA2CA1CA5A
SCHEMBL29991315 0.82 SOS1 (0.40) SIRT6SOS1CA2CA1CA5A
SCHEMBL31394743 0.80 SOS1 (0.51) SIRT6SOS1CA2CA1CA9
SCHEMBL19682396 0.80 GAA (0.42) CDK1TSHRGAAMAPTPOLB
SCHEMBL21865574 0.80 PKM (0.47) CA2CA1CA5ACA9CDK1
SCHEMBL29835245 0.80 PKM (0.47) CA2CA1CA5ACA9CDK1
SCHEMBL1044961 0.79 SOS1 (0.46) SIRT6SOS1CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587438-A1 BICYCLIC COMPOUNDS AS CDK INHIBITORS BeiGene Switzerland GmbH (CH) 2025-07-23 EP disclosed
CN-119894890-A Bicyclic compounds as CDK inhibitors 百济神州(苏州)生物科技有限公司 2025-04-25 CN 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
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 SIRT6 4335/4885SOS1 1960/4885CA2 2430/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 SIRT6 4335/4885SOS1 1960/4885CA2 2430/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 SIRT6 800/4885SOS1 2417/4885CA2 3202/4885

“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.