SCHEMBL22286018

SCHEMBL22286018

CCCCC(/N=C/c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FAAH O00519 5/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
EGFR P00533 1/20 0.38
HDAC3 O15379 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
SCHEMBL22286019 1.00 MIF (0.43) MIFPPARGPPARAFAAHCNR2
SCHEMBL27470902 0.90 MIF (0.48) MIFPPARGPPARAMEN1ALDH1A1
SCHEMBL27470903 0.90 MIF (0.48) MIFPPARGPPARAMEN1ALDH1A1
SCHEMBL6838827 0.85 MIF (0.46) MIFFAAHMEN1ALDH1A1MAPT
SCHEMBL349916 0.85 MIF (0.58) MIFFAAH
SCHEMBL2589303 0.85 MIF (0.46) MIFFAAHMEN1ALDH1A1MAPT
SCHEMBL2589301 0.85 MIF (0.46) MIFFAAHMEN1ALDH1A1MAPT
SCHEMBL349917 0.85 MIF (0.58) MIFFAAH
SCHEMBL16362264 0.84 MIF (0.40) MIFFAAHCNR2LMNAEGFR
SCHEMBL9284047 0.83 MIF (0.53) MIFMEN1ALDH1A1KMT2ASMN1; SMN2

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
US-20240067617-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-02-29 US disclosed
WO-2024008766-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-01-11 WO disclosed
US-20230406832-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-12-21 US disclosed
US-11603359-B2 Benzothiadiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-03-14 US disclosed
EP-3921028-B1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2022-11-09 EP disclosed
CN-113677398-A Benzothiadiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2021-11-19 CN disclosed
US-20210179572-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-17 US disclosed
US-10941127-B2 Benzothiadiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-03-09 US disclosed
US-20200247769-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-06 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 (6 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-20200247769-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MIF 3706/4885PPARG 335/4885PPARA 464/4885
US-11603359-B2 Benzothiadiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 MIF 3706/4885PPARG 335/4885PPARA 464/4885
US-20210179572-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MIF 3706/4885PPARG 335/4885PPARA 464/4885
US-20230406832-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MIF 3706/4885PPARG 335/4885PPARA 464/4885
US-20240067617-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MIF 4512/4885PPARG 598/4885PPARA 523/4885
US-10941127-B2 Benzothiadiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 MIF 3706/4885PPARG 335/4885PPARA 464/4885

“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.