SCHEMBL6879167

SCHEMBL6879167

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.68
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
GAA P10253 4/20 0.68
NSD2 O96028 2/20 0.68
ALPL P05186 2/20 0.68
PSMD14 O00487 1/20 0.68
MMP2 P08253 1/20 0.68
ALPI P09923 1/20 0.68
ALPG P10696 1/20 0.68
GFER P55789 1/20 0.68
MAPT P10636 6/20 0.59
MAPK1 P28482 4/20 0.59
RECQL P46063 3/20 0.59
BCL2 P10415 3/20 0.57
BCL2L2 Q92843 3/20 0.57
HSPD1 P10809 1/20 0.57
HSPE1 P61604 1/20 0.57
HSP90AA1 P07900 1/20 0.56
CASP3 P42574 1/20 0.56

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
SCHEMBL6879163 1.00 POLB (0.68) POLBMEN1KMT2AGAANSD2
SCHEMBL6884679 0.90 POLB (0.56) POLBMEN1KMT2AGAANSD2
SCHEMBL6884675 0.90 POLB (0.56) POLBMEN1KMT2AGAANSD2
SCHEMBL6887142 0.87 MEN1 (0.78) POLBMEN1KMT2AGAAALPI
SCHEMBL6887140 0.87 MEN1 (0.78) POLBMEN1KMT2AGAAALPI
SCHEMBL6887541 0.86 MAPT (0.76) POLBMEN1KMT2AGAANSD2
SCHEMBL6887547 0.86 MAPT (0.76) POLBMEN1KMT2AGAANSD2
SCHEMBL6887088 0.85 MAPT (0.74) POLBMEN1KMT2AMAPTBCL2
SCHEMBL6887091 0.85 MAPT (0.74) POLBMEN1KMT2AMAPTBCL2
SCHEMBL6885627 0.85 MAPT (0.58) POLBMEN1KMT2ANSD2ALPL

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 2514/4885MEN1 838/4885KMT2A 1995/4885

“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.