SCHEMBL6157191

SCHEMBL6157191

[NH]c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AXL P30530 1/20 0.34
KIF11 P52732 1/20 0.34
HPGD P15428 2/20 0.34
P2RX7 Q99572 1/20 0.33
CES1 P23141 1/20 0.33
CNR2 P34972 1/20 0.33
HSD17B10 Q99714 2/20 0.32
IDO1 P14902 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL2000756 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1TDP1POLBL3MBTL1
Lithium SCHEMBL5691154 0.79 HSD11B1 (0.44) HSD11B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL294231 0.77 ALDH1A1 (0.46) HSD11B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL5795608 0.76 POLB (0.36) HSD11B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL6067687 0.75 HSD11B1 (0.55) HSD11B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL8830114 0.74 TAS2R14 (0.40) HSD11B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL14932033 0.73 HSD11B1 (0.41) HSD11B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL7602903 0.73 HSD11B1 (0.41) HSD11B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL942973 0.73 HSD11B1 (0.41) HSD11B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL4891656 0.71 HSD17B1 (0.41) HSD11B1ALDH1A1TDP1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
US-20040157851-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-08-12 US disclosed
US-20040087589-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-05-06 US disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
US-6531475-B1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-03-11 US disclosed
US-6514982-B1 Corticotropin releasing factor is believed to be the major physiological regulator of the basal and stress-release of adrenocorticotropic hormone, beta -endorphin, and other pro-opiomelanocortin-derived peptides from the pituitary NEUROCRINE BIOSCIENCES, INC. 2003-02-04 US disclosed
EP-1129091-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2002-10-02 EP disclosed
WO-2001087885-A1 CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2001-11-22 WO disclosed
EP-1129091-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2001-09-05 EP disclosed
WO-2000027846-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2000-05-18 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP HSD11B1 4019/4885ALDH1A1 961/4885TDP1 219/4885
US-20040157851-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R HSD11B1 886/4885ALDH1A1 1499/4885TDP1 3715/4885
US-20040087589-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R HSD11B1 886/4885ALDH1A1 1499/4885TDP1 3715/4885

“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.