SCHEMBL4433116

SCHEMBL4433116

Cc1cccc(Nc2cc(Cl)nc(CC(=S)NCCO)n2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.57
PPARG P37231 11/20 0.49
RXRA P19793 5/20 0.49
RXRB P28702 4/20 0.49
PPARD Q03181 3/20 0.49
KMT2A Q03164 3/20 0.49
RXRG P48443 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 3/20 0.43
PTGES O14684 4/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL8015983 0.97 PPARA (0.57) PPARAPPARGRXRARXRBPPARD
SCHEMBL3380949 0.87 PPARA (0.67) PPARAPPARGRXRARXRBPPARD
SCHEMBL7926723 0.86 PPARA (0.51) PPARAPPARGRXRARXRBPPARD
SCHEMBL3512239 0.79 PPARA (0.69) PPARAPPARGRXRARXRBPPARD
Pirinixil SCHEMBL8015979 0.77 PPARA (0.62) PPARAPPARGRXRARXRBPPARD
Pirinixil SCHEMBL2109826 0.74 PPARA (0.74) PPARAPPARGRXRARXRBPPARD
SCHEMBL10997703 0.72 PPARA (0.58) PPARAPPARGRXRARXRBPPARD
SCHEMBL10997581 0.70 PPARA (0.47) PPARAPPARGRXRARXRBPPARD
SCHEMBL11484264 0.70 PPARA (0.74) PPARAPPARGRXRARXRBPPARD
SCHEMBL15062964 0.70 PPARA (0.56) PPARAPPARGRXRARXRBPPARD

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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
US-RE37770-E1 SUCH AS LINOLEIC ACID, OLEIC ACID, 5,8,11,14-EICOSATETRAYNOIC ACID, 4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYL)THIOACETIC ACID, CLOFIBRATE, AND GEMFIBROZIL; USEFUL FOR TREATING DISORDERS OF EPIDERMAL DIFFERENTIATION AND PROLIFERATION. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-06-25 US disclosed
US-6187814-B1 BY TOPICALLY AN FARNESOID X-ACTIVATED RECEPTOR (FXR) ACTIVATOR SELECTED FROM FARNESAL, ALKYL FARNESYL ETHER, ALKYL FARNESOATE, AND 7-METHYL-9-(3,3-DIMETHYLOXIRANYL)-3-METHYL-2,6-NONADIENOIC ACID, ALKYL ESTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-13 US disclosed
US-6060515-A TOPICALLY APPLYING TO MAMMALIAN SKIN OR MUCOUS MEMBRANE A BARRIER DEVELOPMENT ENHANCING AMOUNT OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPARA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-05-09 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 PPARA 497/4885PPARG 286/4885RXRA 1819/4885

“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.