SCHEMBL2698463

SCHEMBL2698463

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)NC(C(=O)NC(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
SCHEMBL19046392 1.00 NR1H4 (0.87) NR1H4KMT2AATMSLC10A2
SCHEMBL920662 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 10 patents. 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 disclosed
EP-3400944-B1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2020-07-15 EP disclosed
EP-3023102-B1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2018-06-27 EP disclosed
EP-3023102-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES Albireo AB (SE) 2016-05-25 EP disclosed
EP-2637646-B1 A PHARMACEUTICAL COMBINATION COMPRISING AN IBAT INHIBITOR AND A BILE ACID BINDER ALBIREO AB (SE) 2016-05-11 EP disclosed
EP-2637668-B1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2016-05-11 EP disclosed
WO-2012064266-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2012-05-18 WO disclosed
WO-2012064268-A1 IBAT INHIBITORS FOR TREATMENT OF METABOLIC DISORDERS AND RELATED CONDITIONS ALBIREO AB (SE) 2012-05-18 WO disclosed
WO-2012064267-A1 A PHARMACEUTICAL COMBINATION COMPRISING AN IBAT INHIBITOR AND A BILE ACID BINDER ALBIREO AB (SE) 2012-05-18 WO disclosed
US-20120114588-A1 IBAT INHIBITORS FOR TREATMENT OF METABOLIC DISORDERS AND RELATED CONDITIONS ALBIREO AB (SE) 2012-05-10 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 (1 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-20120114588-A1 IBAT INHIBITORS FOR TREATMENT OF METABOLIC DISORDERS AND RELATED CONDITIONS GPR119, SLC5A1, GABRQ NR1H4 561/4885KMT2A 1542/4885ATM 2522/4885

“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.