SCHEMBL6884679

SCHEMBL6884679

O=C(O)CC(C(=O)O)N1C(=O)C(=Cc2ccc(O)c(C(=O)O)c2)SC1=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPK1 P28482 3/20 0.56
RECQL P46063 2/20 0.56
GAA P10253 2/20 0.56
PSMD14 O00487 1/20 0.56
NSD2 O96028 1/20 0.56
ALPL P05186 1/20 0.56
MMP2 P08253 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
GFER P55789 1/20 0.56
MME P08473 2/20 0.55
CFTR P13569 3/20 0.55
BCL2 P10415 3/20 0.54
BCL2L2 Q92843 3/20 0.54
DUSP22 Q9NRW4 1/20 0.53
PLA2G1B P04054 1/20 0.53

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
SCHEMBL6884675 1.00 POLB (0.56) POLBMAPTMEN1KMT2AMAPK1
SCHEMBL6879167 0.90 POLB (0.68) POLBMAPTMEN1KMT2AMAPK1
SCHEMBL6879163 0.90 POLB (0.68) POLBMAPTMEN1KMT2AMAPK1
SCHEMBL6887140 0.85 MEN1 (0.78) POLBMAPTMEN1KMT2AMAPK1
SCHEMBL6887142 0.85 MEN1 (0.78) POLBMAPTMEN1KMT2AMAPK1
SCHEMBL6887547 0.83 MAPT (0.76) POLBMAPTMEN1KMT2ARECQL
SCHEMBL6887541 0.83 MAPT (0.76) POLBMAPTMEN1KMT2ARECQL
SCHEMBL6887088 0.82 MAPT (0.74) POLBMAPTMEN1KMT2AMME
SCHEMBL6887091 0.82 MAPT (0.74) POLBMAPTMEN1KMT2AMME
SCHEMBL6885627 0.82 MAPT (0.58) POLBMAPTMEN1KMT2AMAPK1

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 POLB 2514/4885MAPT 3886/4885MEN1 838/4885

“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.