SCHEMBL2678487

SCHEMBL2678487

COc1cc2sc(N)nc2cc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ILK Q13418 14/20 0.56
CYP3A4 P08684 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
AXL P30530 1/20 0.49
GFER P55789 1/20 0.49
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
FTO Q9C0B1 1/20 0.44

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
SCHEMBL29741739 1.00 ILK (0.56) ILKCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL2552313 0.93 CYP3A4 (0.53) ILKCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL9722790 0.86 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C19ALDH1A1TP53
SCHEMBL31114638 0.86 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C19ALDH1A1TP53
SCHEMBL19784621 0.81 ILK (0.51) ILK
SCHEMBL11685051 0.81 CYP3A4 (0.68) CYP3A4CYP1A2CYP2C19ALDH1A1TP53
SCHEMBL5145161 0.81 CYP3A4 (0.42) ILKCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL5707550 0.80 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19ALDH1A1TP53
SCHEMBL3663450 0.80 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19ALDH1A1TP53
SCHEMBL7679151 0.80 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19ALDH1A1TP53

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 53 patents — showing the first 20. 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-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
CN-112449637-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-03-19 CN disclosed
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed
CN-114786773-A Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2022-07-22 CN disclosed
CN-109689649-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2022-07-19 CN disclosed
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-04-19 US disclosed
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-09-30 US disclosed
US-8173689-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173689-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2012-05-08 US disclosed
US-20100280006-A1 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2010-11-04 US disclosed
US-7553854-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-06-30 US disclosed
EP-2010528-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING Novartis Pharma AG (CH) 2009-01-07 EP disclosed
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG 2008-02-21 US disclosed
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG 2008-02-21 US disclosed
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG 2008-02-21 US disclosed
WO-2007121484-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007121484-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2007-10-25 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 (5 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 ILK 3950/4885CYP3A4 261/4885CYP1A2 292/4885
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 ILK 4498/4885CYP3A4 366/4885CYP1A2 283/4885
US-20100280006-A1 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling CSF1R, CSF3R, FLT3 ILK 2594/4885CYP3A4 2211/4885CYP1A2 2622/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 ILK 3950/4885CYP3A4 261/4885CYP1A2 292/4885
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING CSF1R, CSF3R, FLT3 ILK 2594/4885CYP3A4 2211/4885CYP1A2 2622/4885

“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.