SCHEMBL4425112

SCHEMBL4425112

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.72
LIFR P42702 4/20 0.72
MEN1 O00255 1/20 0.60
FABP1 P07148 1/20 0.60
THRB P10828 1/20 0.60
RECQL P46063 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B13 Q7Z5P4 1/20 0.60

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
SCHEMBL4422361 0.92 NR1H4 (0.72) NR1H4LIFR
SCHEMBL4427551 0.92 NR1H4 (0.77) NR1H4LIFR
SCHEMBL4427502 0.91 NR1H4 (0.71) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4838926 0.91 NR1H4 (0.70) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4427382 0.90 NR1H4 (0.69) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4665679 0.85 NR1H4 (0.77) NR1H4LIFR
SCHEMBL4840215 0.85 NR1H4 (0.70) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4422439 0.84 NR1H4 (0.68) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4830931 0.84 NR1H4 (0.71) NR1H4LIFRMEN1FABP1THRB
SCHEMBL30080792 0.84 NR1H4 (1.00) 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 24/4885LIFR 4437/4885MEN1 3433/4885
US-20060258725-A1 Farnesoid x receptor agonists NR1H4, GPBAR1, NR1H2 NR1H4 1/4885LIFR 2155/4885MEN1 1631/4885

“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.