SCHEMBL6155833

SCHEMBL6155833

CCOc1ccc(C(=O)NNC(=S)Nc2ccc(Br)c(Cl)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.72
ALDH1A1 P00352 9/20 0.72
GAA P10253 9/20 0.72
KMT2A Q03164 9/20 0.72
MEN1 O00255 8/20 0.72
KDM4E B2RXH2 2/20 0.72
HTT P42858 3/20 0.64
PKM P14618 1/20 0.56
LMNA P02545 5/20 0.47
TP53 P04637 1/20 0.47
NPY1R P25929 1/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6667399 0.78 MAPT (0.61) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL11921405 0.77 RAB9A (0.68) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL19472707 0.76 POLB (0.61) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL6155654 0.76 MAPT (0.58) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL6662554 0.75 MAPT (0.55) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL404368 0.74 NPC1 (0.63) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL403441 0.73 NPC1 (0.63) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL5450507 0.73 ALDH1A1 (0.61) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL6155423 0.70 CA2 (0.56) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL6810876 0.70 MAPT (0.75) MAPTALDH1A1GAAKMT2AMEN1

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 MAPT 3318/4885ALDH1A1 961/4885GAA 2365/4885

“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.