SCHEMBL4095495

SCHEMBL4095495

Nc1ccccc1C(=O)c1ccc(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
KEAP1 Q14145 1/20 0.46
HSD17B10 Q99714 2/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CFTR P13569 1/20 0.39
F2R P25116 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL7278913 0.85 KEAP1 (0.56) MAPTGAAKEAP1TP53POLB
SCHEMBL25270267 0.84 CES2 (0.50) MAPTKEAP1TP53ALOX15MAPK13
SCHEMBL11217545 0.83 CES2 (0.53) MAPTGAAKEAP1MAPK13MAPK12
SCHEMBL10374111 0.81 MAPT (0.59) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL11638597 0.78 MAPT (0.49) MAPTGAAKEAP1TP53POLB
SCHEMBL2705467 0.77 ALDH1A1 (0.59) MAPTGAAKEAP1ALOX15MAPK13
SCHEMBL112507 0.76 MAPT (0.74) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL30790667 0.76 MAPT (0.74) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL2703087 0.75 KEAP1 (0.59) MAPTGAAKEAP1HSD17B10TP53
SCHEMBL8764887 0.74 MAPT (0.71) MAPTGAAHSD17B10TP53ALOX15

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
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-20050227947-A1 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. 2005-10-13 US disclosed
WO-2004096237-A2 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES GILEAD SCIENCES, INC. (US) 2004-11-11 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-20050227947-A1 Phosphonate analogs for treating metabolic diseases PHOSPHO1, G6PC1, PC MAPT 1774/4885GAA 162/4885KEAP1 1688/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC MAPT 1774/4885GAA 162/4885KEAP1 1688/4885

“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.