Sugi Predict

Sugi Predict / Compounds / SCHEMBL6843767

SCHEMBL6843767

SCHEMBL6843767

CCCCC1(CCCC)CSc2ccc(F)cc2N(c2ccc(OC)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.40
▸ PMM2 O15305 2/20 0.38
▸ MIF P14174 2/20 0.38
▸ MPI P34949 2/20 0.38
▸ PHOSPHO1 Q8TCT1 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ HTR7 P34969 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
SCHEMBL22336274 0.83 SLC6A2 (0.38) RAB9AAPAF1SLC6A2POLBMAPT
SCHEMBL22286474 0.82 SLC6A2 (0.35) RAB9AAPAF1SLC6A2POLBMAPT
SCHEMBL22286550 0.82 MAPK1 (0.37) RAB9AAPAF1MAPK1SLC6A2L3MBTL1
SCHEMBL29728493 0.82 MAPK1 (0.37) RAB9AAPAF1MAPK1SLC6A2L3MBTL1
SCHEMBL23369951 0.80 SLC6A2 (0.36) ELANEAPAF1SLC6A2POLBMAPT
SCHEMBL6843144 0.79 PMM2 (0.34) PMM2MIFMPIPHOSPHO1RAB9A
SCHEMBL22286549 0.79 SLC6A2 (0.34) ELANERAB9ASLC6A2MAPTKDM4E
SCHEMBL22286435 0.79 MAPK1 (0.36) ELANERAB9AMAPK1SLC6A2L3MBTL1
SCHEMBL29383907 0.79 MAPK1 (0.36) ELANERAB9AMAPK1SLC6A2L3MBTL1
SCHEMBL21586001 0.78 SLC6A2 (0.40) ELANESLC6A2POLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake PHARMACIA CORPORATION 2004-04-22 — — US disclosed
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake G.D. SEARLE LLC 2002-12-05 — — US disclosed
WO-2002008211-A2 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS G.D. SEARLE, LLC. (US) 2002-01-31 — — 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 (2 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-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake SLC10A1, ABCB11, SLC10A2 ELANE 4100/4885PMM2 4394/4885MIF 4685/4885
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake SLC10A1, SLC10A2, ABCB11 ELANE 3955/4885PMM2 4444/4885MIF 4476/4885

“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.