SCHEMBL5499655

SCHEMBL5499655

CC(CNC(N)=O)C(O)=S

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.40
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRR1 P24046 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ECE1 P42892 1/20 0.30
TAS2R38 P59533 1/20 0.30

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
SCHEMBL10056838 0.82 GABRR1 (0.44) BCAT2CYP2C19CYP2D6GABRR1
SCHEMBL1331722 0.82 GABRR1 (0.44) BCAT2CYP2C19CYP2D6GABRR1
SCHEMBL10055164 0.82 GABRR1 (0.44) BCAT2CYP2C19CYP2D6GABRR1
SCHEMBL16157279 0.79 BCAT2 (0.39) BCAT2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL14704194 0.76 BCAT2 (0.37) BCAT2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL10056281 0.74 CA14 (0.39) BCAT2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL10055155 0.74 CA14 (0.39) BCAT2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL15481501 0.74 CA14 (0.39) BCAT2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL23863 0.74
SCHEMBL12521641 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369098-B1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-.GAMMA. (PPAR.GAMMA.) AND/OR PPAR.ALPHA TREATMENT OF ENDOCRINE, SKIN, CARDIOVASCULAR, IMMUNOLOGICAL, NEUROLOGICAL, NEUROPSYCHIATRIC, NEOPLASTIC AND CHRONIC VIRAL DISEASES OF VARIOUS ORGANS BETHESDA PHARMACEUTICALS, INC. 2002-04-09 US claimed
WO-2001025226-A1 DITHIOLANE DERIVATIVES BETHESDA PHARMACEUTICALS, INC. (US) 2001-04-12 WO claimed
US-20190077774-A1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR AGONISTS HOPE CITY (US) 2019-03-14 US disclosed
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants GOETZE LEOPOLD F 2007-10-04 US disclosed
EP-1765320-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS Pfizer Products Incorporated (US) 2007-03-28 EP disclosed
WO-2006034485-A2 TREATMENT FOR AGE-RELATED COGNITIVE DECLINE AND OTHER CONDITIONS THE JOHNS HOPKINS UNIVERSITY (US) 2006-03-30 WO disclosed
WO-2005115369-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
US-20040106135-A1 Identifying peroxisome proliferator activated receptor (PPAR) modulator for use in treatment and prevention of hyperlipidemia and liver disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2004024939-A2 LIGANDS FOR THE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR, AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2004-03-25 WO disclosed
EP-1399426-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING BETA-AMYLOID PRODUCTION Active Pass Pharmaceuticals, Inc. (CA) 2004-03-24 EP disclosed
US-20030125338-A1 Compounds, compositions and methods for modulating beta-amyloid production ACTIVE PASS PHARMACEUTICALS, INC. (CA) 2003-07-03 US disclosed
WO-2002100836-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING BETA-AMYLOID PRODUCTION ACTIVE PASS PHARMACEUTICALS, INC. (CA) 2002-12-19 WO disclosed
WO-2002052039-A2 METHODS FOR SELECTING AND PRODUCING PHARMACEUTICAL COMPOUNDS USING A LIBRARY RESPONSIVE TO TRANSCRIPTION FACTORS GENEKA BIOTECHNOLOGY INC. (CA) 2002-07-04 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 (3 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-20030125338-A1 Compounds, compositions and methods for modulating beta-amyloid production APP, PPARA, PPARG BCAT2 1743/4885CYP2C19 3665/4885CYP2D6 3822/4885
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants PPARG, PPARD, PPARA BCAT2 1281/4885CYP2C19 2588/4885CYP2D6 2123/4885
US-20190077774-A1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR AGONISTS PPARG, PPARA, PPARD BCAT2 979/4885CYP2C19 1678/4885CYP2D6 1679/4885

“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.