SCHEMBL21585899

SCHEMBL21585899

CCC(Br)C(F)(F)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL20049072 0.73 DPP8 (0.31) DPP4DPP8DPP7
SCHEMBL1706440 0.73 MAPT (0.31)
SCHEMBL10438608 0.73 CYP2C9 (0.35) LCKPPARDZDHHC20ZDHHC2
SCHEMBL7347552 0.73 TSHR (0.42)
SCHEMBL7347545 0.73 TSHR (0.42)
SCHEMBL25273935 0.73 LCK (0.31) LCKPPARDZDHHC20ZDHHC2
SCHEMBL21585982 0.72
SCHEMBL1707223 0.71 LMNA (0.35)
SCHEMBL3465484 0.71 LCK (0.30) LCKPPARDZDHHC20ZDHHC2
SCHEMBL16438261 0.71 SLC1A3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-04-19 US disclosed
EP-3802504-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-04-14 EP disclosed
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-01-21 US disclosed
US-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2020-10-06 US disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 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-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 DPP4 208/4885DPP8 433/4885DPP7 335/4885
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 DPP4 208/4885DPP8 433/4885DPP7 335/4885
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 DPP4 208/4885DPP8 433/4885DPP7 335/4885

“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.