SCHEMBL920662

SCHEMBL920662

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.87
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SLC10A2 Q12908 4/20 0.32

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
SCHEMBL2698463 1.00 NR1H4 (0.87) NR1H4KMT2AATMSLC10A2
SCHEMBL19046392 1.00 NR1H4 (0.87) NR1H4KMT2AATMSLC10A2
SCHEMBL19807064 1.00 NR1H4 (0.87) NR1H4KMT2AATMSLC10A2
SCHEMBL19034754 0.96 NR1H4 (0.81) NR1H4SLC10A2
SCHEMBL919592 0.96 NR1H4 (0.81) NR1H4SLC10A2
SCHEMBL5743901 0.95 NR1H4 (0.79) NR1H4SLC10A2
SCHEMBL19034768 0.94 NR1H4 (0.85) NR1H4KMT2AATMSLC10A2
SCHEMBL919383 0.94 NR1H4 (0.85) NR1H4KMT2AATMSLC10A2
SCHEMBL2692504 0.94 NR1H4 (0.85) NR1H4KMT2AATMSLC10A2
SCHEMBL919911 0.94 NR1H4 (0.87) NR1H4KMT2AATMSLC10A2

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 274 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3777864-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES Albireo AB (SE) 2021-02-17 EP claimed
EP-3400944-B1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2020-07-15 EP claimed
US-20200069715-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2020-03-05 US claimed
US-10555950-B2 Bile acid recycling inhibitors for treatment of obesity and diabetes SATIOGEN PHARMACEUTICALS, INC. (US) 2020-02-11 US claimed
EP-3400944-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES Albireo AB (SE) 2018-11-14 EP claimed
EP-3023102-B1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2018-06-27 EP claimed
EP-1427423-B9 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2017-12-20 EP claimed
US-20160193277-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2016-07-07 US claimed
US-20160194353-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2016-07-07 US claimed
EP-3023102-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES Albireo AB (SE) 2016-05-25 EP claimed
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US claimed
US-20050113362-A1 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) ASTRAZENECA AB R & D HEADQUARTERS - GLOBAL IINTELLECTUAL PROPERT (SE) 2005-05-26 US claimed
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia ALBIREO AB (SE) 2005-02-17 US claimed
WO-2004089350-A1 USE OF AN IBAT INHIBITOR FOR THE TREATMENT OF PROPHYLAXIS OF CONSTIPATION ASTRAZENECA AB (SE) 2004-10-21 WO claimed
EP-1458677-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA Astrazeneca AB (SE) 2004-09-22 EP claimed
EP-1458672-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA(PPAR) AstraZeneca AB (SE) 2004-09-22 EP claimed
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP claimed
WO-2003051826-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA ASTRAZENECA AB (SE) 2003-06-26 WO claimed
WO-2003051822-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) ASTRAZENECA AB (SE) 2003-06-26 WO claimed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20050131068-A1 Therapeutic agents GPR119, INSR, LIPA NR1H4 94/4885KMT2A 3639/4885ATM 3046/4885
US-20160194353-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES GPR119, SLC10A1, SLC10A2 NR1H4 46/4885KMT2A 1882/4885ATM 2968/4885
US-20160193277-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES GPR119, SLC10A1, SLC10A2 NR1H4 46/4885KMT2A 1882/4885ATM 2968/4885
US-10555950-B2 Bile acid recycling inhibitors for treatment of obesity and diabetes SLC10A1, SLC10A2, ABCB11 NR1H4 5/4885KMT2A 4321/4885ATM 4161/4885
US-20050113362-A1 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) PPARA, PPARD, PPARG NR1H4 33/4885KMT2A 2757/4885ATM 3813/4885
US-20200069715-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 NR1H4 4/4885KMT2A 1881/4885ATM 4699/4885
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia SLC10A2, SLC10A1, ABCB11 NR1H4 4/4885KMT2A 1598/4885ATM 4139/4885

“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.