SCHEMBL4835425

SCHEMBL4835425

CCc1onc(Cc2c(Cl)cccc2Cl)c1COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O)c2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 18/20 0.61
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LIFR P42702 2/20 0.40

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
SCHEMBL4428382 0.88 NR1H4 (0.62) NR1H4MRGPRX4LIFR
SCHEMBL4427382 0.79 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4428386 0.79 NR1H4 (0.72) NR1H4LIFR
SCHEMBL4831063 0.77 NR1H4 (0.59) NR1H4LIFR
SCHEMBL4596831 0.75 NR1H4 (0.58) NR1H4MRGPRX4
SCHEMBL4427502 0.74 NR1H4 (0.71) NR1H4LIFR
SCHEMBL14279633 0.74 NR1H4 (0.56) NR1H4LIFR
SCHEMBL4433150 0.73 NR1H4 (0.66) NR1H4LIFR
SCHEMBL4628411 0.72 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4840542 0.72 NR1H4 (0.70) NR1H4LIFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 — — US claimed
US-20060258725-A1 Farnesoid x receptor agonists SMITHKLINE BEECHAM CORPORATION 2006-11-16 — — US claimed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 — — US disclosed
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 — — US disclosed
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 — — US disclosed
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 — — US disclosed
US-20060258725-A1 Farnesoid x receptor agonists SMITHKLINE BEECHAM CORPORATION 2006-11-16 — — US disclosed
EP-1562915-A1 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2005-08-17 — — EP disclosed
WO-2004048349-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 — — 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 NR1H4 24/4885MRGPRX4 3221/4885NPSR1 4323/4885
US-20060258725-A1 Farnesoid x receptor agonists NR1H4, GPBAR1, NR1H2 NR1H4 1/4885MRGPRX4 64/4885NPSR1 170/4885

“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.

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