SCHEMBL6884587

SCHEMBL6884587

O=C(O)CC(C(=O)O)N1C(=O)C(=CC=Cc2ccc(-c3ccccc3)cc2)SC1=S

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.69
MAPT P10636 7/20 0.67
POLB P06746 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
KDM4E B2RXH2 2/20 0.67
USP2 O75604 2/20 0.67
THRB P10828 2/20 0.67
RECQL P46063 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
APAF1 O14727 1/20 0.67
NSD2 O96028 1/20 0.67
ALPL P05186 1/20 0.67
SAE1 Q9UBE0 1/20 0.67
UBA2 Q9UBT2 1/20 0.67
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 1/20 0.55
AKR1B1 P15121 1/20 0.55
PSMD14 O00487 1/20 0.55
MMP2 P08253 1/20 0.55

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
SCHEMBL6884860 0.86 MAPT (0.62) DUSP3MAPTPOLBMEN1KMT2A
SCHEMBL6884114 0.83 MAPT (0.70) DUSP3MAPTPOLBMEN1KMT2A
SCHEMBL6884113 0.83 MAPT (0.70) DUSP3MAPTPOLBMEN1KMT2A
SCHEMBL6883801 0.81 MAPT (0.64) DUSP3MAPTPOLBMEN1KMT2A
SCHEMBL6883777 0.81 MAPT (0.62) DUSP3MAPTPOLBMEN1KMT2A
SCHEMBL6887547 0.80 MAPT (0.76) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL6887541 0.80 MAPT (0.76) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL6885610 0.79 MAPT (0.59) DUSP3MAPTPOLBMEN1KMT2A
SCHEMBL6886335 0.78 MAPT (0.68) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL2778876 0.77 MAPT (0.71) DUSP3MAPTPOLBMEN1KMT2A

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-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 US disclosed
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders ANGELIKA ESSWEIN, WOLFGANG SCHAEFER, AND KONRAD HONOLD 2003-02-13 US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 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-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders NR1H4, NR1D1, NR1I2 DUSP3 4424/4885MAPT 3886/4885POLB 2514/4885

“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.