SCHEMBL6156505

SCHEMBL6156505

COC(=O)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.65
CA2 P00918 4/20 0.65
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.50
FFAR1 O14842 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CASP3 P42574 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
SCHEMBL16211677 0.88 MAPT (0.66) CA1CA2MAPTMEN1KMT2A
SCHEMBL13934091 0.85 CA1 (0.87) CA1CA2MAPTMEN1KMT2A
SCHEMBL16211536 0.84 CA1 (0.56) CA1CA2MAPTMEN1KMT2A
SCHEMBL11240016 0.84 CA1 (0.75) CA1CA2MAPTMEN1KMT2A
SCHEMBL29245006 0.84 CA1 (0.75) CA1CA2MAPTMEN1KMT2A
SCHEMBL6157031 0.84 EPHX2 (0.64) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15761762 0.82 CA1 (0.61) CA1CA2MAPTMEN1KMT2A
SCHEMBL11245753 0.80 MAPT (0.63) CA1CA2MAPTMEN1KMT2A
SCHEMBL17618029 0.79 CA1 (0.77) CA1CA2MAPTMEN1KMT2A
SCHEMBL12051728 0.79 CA1 (1.00) CA1CA2MAPTMEN1KMT2A

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 CA1 4519/4885CA2 3937/4885MAPT 3318/4885

“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.