SCHEMBL6154796

SCHEMBL6154796

[NH]C(=O)c1cc(Br)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.69
HPGD P15428 2/20 0.69
CES2 O00748 1/20 0.69
GALR3 O60755 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CASP1 P29466 1/20 0.69
CYP2C19 P33261 1/20 0.69
GSTA1 P08263 3/20 0.58
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
AR P10275 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL9864432 0.83 ALOX15 (0.52) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL15684683 0.82 ALOX15 (1.00) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL2156880 0.82 CES2 (1.00) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL29355897 0.82 CES2 (1.00) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL30352763 0.80 CYP2C9 (0.72) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL129669 0.80 CYP2C9 (0.72) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL9487167 0.78 CYP2C9 (0.69) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL309016 0.78 HPGD (0.69) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL1175614 0.78 HPGD (0.69) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL3127332 0.78 ALOX15 (0.69) ALOX15HPGDCES2GALR3CYP1A2

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 3 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
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP ALOX15 3698/4885HPGD 3168/4885CES2 1903/4885

“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.