SCHEMBL1185201

SCHEMBL1185201

CCCCC1(CC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCCS(=O)(=O)O)c3ccccc3)cc2S(=O)(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
SLC10A2 Q12908 12/20 0.37
CTSD P07339 3/20 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
SCHEMBL14559691 1.00 NR1H4 (0.55) NR1H4SLC10A2CTSD
SCHEMBL3851490 1.00 NR1H4 (0.55) NR1H4SLC10A2CTSD
Ammonia Solution, Strong SCHEMBL5223721 0.99 NR1H4 (0.55) NR1H4SLC10A2CTSD
SCHEMBL3459109 0.97 NR1H4 (0.56) NR1H4SLC10A2CTSD
SCHEMBL1183437 0.97 NR1H4 (0.56) NR1H4SLC10A2CTSD
SCHEMBL5226167 0.97 NR1H4 (0.56) NR1H4SLC10A2CTSD
Ammonia Solution, Strong SCHEMBL5225513 0.97 NR1H4 (0.56) NR1H4SLC10A2CTSD
SCHEMBL919120 0.96 NR1H4 (0.61) NR1H4SLC10A2
SCHEMBL14559696 0.94 NR1H4 (0.54) NR1H4SLC10A2CTSD
SCHEMBL919016 0.94 NR1H4 (0.62) NR1H4SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1894564-B1 Use of an IBAT inhibitor for the treatment or prophylaxis of constipation ALBIREO AB (SE) 2011-06-22 EP claimed
EP-1458677-B1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA ASTRAZENECA AB (SE) 2009-04-15 EP claimed
US-7514421-B2 Use of an IBAT inhibitor for the treatment of constipation ALBIREO AB (SE) 2009-04-07 US claimed
US-7514471-B2 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor α (PPAR) ASTRAZENECA AB (SE) 2009-04-07 US claimed
EP-1894564-A2 Use of an ibat inhibitor for the treatment of prophylaxis of constipation AstraZeneca AB (SE) 2008-03-05 EP claimed
US-7276539-B2 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha ASTRAZENECA AB (SE) 2007-10-02 US claimed
US-7256307-B2 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor α(PPAR) ASTRAZENECA AB (SE) 2007-08-14 US claimed
EP-1458672-B1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA(PPAR) ASTRAZENECA AB (SE) 2007-05-30 EP claimed
EP-1345918-B1 1,5 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS ASTRAZENECA AB (SE) 2007-04-18 EP claimed
EP-1458673-B1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) ASTRAZENECA AB (SE) 2006-09-06 EP claimed
US-20050171204-A1 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) ASTRAZENECA AB (SE) 2005-08-04 US claimed
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US claimed
EP-1539120-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA Astrazeneca AB (SE) 2005-06-15 EP 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
EP-1458673-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) 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
US-20040067933-A1 Chemical compounds ELOBIX AB (SE) 2004-04-08 US claimed
WO-2004006899-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA ASTRAZENECA AB (SE) 2004-01-22 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-2003051821-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) ASTRAZENECA AB (SE) 2003-06-26 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 (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-20050131068-A1 Therapeutic agents GPR119, INSR, LIPA NR1H4 94/4885SLC10A2 175/4885CTSD 2273/4885
US-20040067933-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 NR1H4 7/4885SLC10A2 1/4885CTSD 2456/4885
US-20050113362-A1 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) PPARA, PPARD, PPARG NR1H4 33/4885SLC10A2 434/4885CTSD 3213/4885
US-20050171204-A1 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) PPARA, PPARD, PPARG NR1H4 46/4885SLC10A2 209/4885CTSD 3453/4885

“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.