Sugi Predict

Sugi Predict / Compounds / SCHEMBL23375157

SCHEMBL23375157

SCHEMBL23375157

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ NR1H4 Q96RI1 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SLC10A2 Q12908 6/20 0.34
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 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
SCHEMBL23375104 0.97 OPRM1 (0.37) OPRM1OPRL1NR1H4MEN1ALDH1A1
SCHEMBL23375155 0.93 SLC10A2 (0.38) OPRM1OPRL1NR1H4SLC10A2PSEN1
SCHEMBL23375156 0.92 SLC10A2 (0.38) OPRM1OPRL1NR1H4MEN1ALDH1A1
SCHEMBL23375164 0.90 NR1H4 (0.37) OPRM1OPRL1NR1H4MEN1ALDH1A1
SCHEMBL23375097 0.89 SLC10A2 (0.39) OPRM1OPRL1NR1H4SLC10A2PSEN1
SCHEMBL23375103 0.89 SLC10A2 (0.39) OPRM1OPRL1NR1H4SLC10A2
SCHEMBL23375162 0.88 LMNA (0.39) OPRM1OPRL1NR1H4MEN1ALDH1A1
SCHEMBL22286481 0.85 SLC10A2 (0.37) NR1H4SLC10A2
SCHEMBL28981756 0.84 NR1H4 (0.34) OPRM1OPRL1NR1H4KMT2ASLC10A2
SCHEMBL23375154 0.84 SLC10A2 (0.43) OPRM1OPRL1NR1H4SLC10A2

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
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 — — US disclosed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 — — WO 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 OPRM1 2296/4885OPRL1 1366/4885NR1H4 6/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 OPRM1 2217/4885OPRL1 1381/4885NR1H4 6/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 OPRM1 2296/4885OPRL1 1366/4885NR1H4 6/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 OPRM1 2296/4885OPRL1 1366/4885NR1H4 6/4885

“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.