SCHEMBL23375134

SCHEMBL23375134

CCCCC1(CCCC)CN(c2ccccc2)c2cc(C#N)c(OCC(=O)OC(C)(C)C)cc2S(O)(O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL23375132 0.92 SLC10A2 (0.35) DDB1CRBNPSEN1PSEN2APH1B
SCHEMBL23375110 0.90 SLC10A2 (0.38) ALDH1A1RAB9ANR1H4HPGDTP53
SCHEMBL28524633 0.86 KDM4E (0.30) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL23375166 0.85 DDB1 (0.35) DDB1CRBNPSEN1PSEN2APH1B
SCHEMBL23481423 0.84 PSEN1 (0.35) DDB1CRBNPSEN1PSEN2APH1B
SCHEMBL23375111 0.84 NR1H4 (0.38) DDB1CRBNPSEN1PSEN2APH1B
SCHEMBL21585977 0.83 NR1H4 (0.32) ALDH1A1KDM4ENR1H4HPGD
SCHEMBL23375109 0.82 SLC10A2 (0.43) ALDH1A1NR1H4HPGDTP53SLC10A2
SCHEMBL28981762 0.80 SLC10A2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23375164 0.79 NR1H4 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-09-30 US disclosed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO disclosed
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US disclosed
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-05-25 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 (4 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-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 DDB1 4060/4885CRBN 4679/4885PSEN1 916/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 DDB1 4027/4885CRBN 4667/4885PSEN1 922/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 DDB1 4060/4885CRBN 4679/4885PSEN1 916/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 DDB1 4060/4885CRBN 4679/4885PSEN1 916/4885

“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.