SCHEMBL6883777

SCHEMBL6883777

COc1cc(C=CC=C2SC(=S)N(C(CC(=O)O)C(=O)O)C2=O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
MEN1 O00255 11/20 0.62
KMT2A Q03164 11/20 0.62
POLB P06746 9/20 0.62
MAPK1 P28482 6/20 0.62
RECQL P46063 4/20 0.62
L3MBTL1 Q9Y468 6/20 0.58
THRB P10828 4/20 0.58
KDM4E B2RXH2 2/20 0.58
USP2 O75604 2/20 0.58
APAF1 O14727 1/20 0.58
NSD2 O96028 1/20 0.58
ALPL P05186 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
TDP1 Q9NUW8 3/20 0.57
ATM Q13315 1/20 0.57
DUSP3 P51452 1/20 0.55
ALDH1A1 P00352 6/20 0.50
PDE4B Q07343 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
SCHEMBL6885610 0.90 MAPT (0.59) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL6887140 0.89 MEN1 (0.78) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL6887142 0.89 MEN1 (0.78) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL6884860 0.87 MAPT (0.62) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL6885682 0.81 MAPT (0.66) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL6885684 0.81 MAPT (0.66) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL6884587 0.81 DUSP3 (0.69) MAPTMEN1KMT2APOLBRECQL
SCHEMBL6879167 0.76 POLB (0.68) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL6879163 0.76 POLB (0.68) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL6888325 0.74 ADAMTS5 (0.76) MAPTMEN1KMT2APOLBMAPK1

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 MAPT 3886/4885MEN1 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.