SCHEMBL6059993

SCHEMBL6059993

Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TRPV1 Q8NER1 2/20 0.55
NPSR1 Q6W5P4 3/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.53
ROCK1 Q13464 1/20 0.53
AAK1 Q2M2I8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GRN P28799 1/20 0.51
SORT1 Q99523 1/20 0.51
MAPK14 Q16539 3/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL1900620 0.91 MAPK14 (0.59) POLBALDH1A1CYP3A4HSD17B10NPSR1
SCHEMBL1903709 0.84 MAPT (0.68) POLBALDH1A1CYP3A4HSD17B10NPSR1
SCHEMBL1903600 0.84 KDM4E (0.60) ALDH1A1CYP3A4HSD17B10NPSR1MAPT
SCHEMBL4425426 0.82 NPSR1 (0.59) POLBALDH1A1CYP3A4HSD17B10NPSR1
SCHEMBL14640545 0.80 MEN1 (0.56) POLBALDH1A1CYP3A4HSD17B10TRPV1
SCHEMBL1897017 0.80 BRAF (0.58) NPSR1MAPTMEN1KMT2AMAPK1
SCHEMBL147989 0.79 NPSR1 (0.80) ALDH1A1NPSR1MAPTMAPK1GRN
SCHEMBL28124049 0.78 HDAC3 (0.53) POLBALDH1A1CYP3A4HSD17B10TRPV1
SCHEMBL4257557 0.78 AAK1 (0.55) POLBALDH1A1CYP3A4HSD17B10NPSR1
SCHEMBL19710265 0.78 ALDH1A1 (0.65) POLBALDH1A1CYP3A4HSD17B10TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 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 (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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 POLB 2364/4885ALDH1A1 3045/4885CYP3A4 1515/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 POLB 2611/4885ALDH1A1 2163/4885CYP3A4 1384/4885

“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.