SCHEMBL6884509

SCHEMBL6884509

CCOc1cc(C=CC=C2SC(=S)N(CC(=O)O)C2=O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.65
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 4/20 0.62
AKR1B1 P15121 4/20 0.62
NPC1 O15118 2/20 0.62
POLB P06746 4/20 0.59
GAA P10253 3/20 0.59
RECQL P46063 3/20 0.54
MAPK1 P28482 3/20 0.54
THRB P10828 1/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
OPRK1 P41145 1/20 0.51
BLM P54132 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PDE4B Q07343 2/20 0.51

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
SCHEMBL6885986 0.90 AKR1B1 (0.64) MEN1KMT2AMAPTALDH1A1AKR1B1
SCHEMBL20558690 0.88 FABP4 (0.81) FABP4MEN1KMT2AMAPTALDH1A1
SCHEMBL20558689 0.88 FABP4 (0.81) FABP4MEN1KMT2AMAPTALDH1A1
SCHEMBL6886608 0.81 KMT2A (0.60) FABP4MEN1KMT2AMAPTALDH1A1
SCHEMBL7537933 0.79 MAPT (0.80) MEN1KMT2AMAPTALDH1A1AKR1B1
SCHEMBL4863223 0.79 MAPT (0.80) MEN1KMT2AMAPTALDH1A1AKR1B1
SCHEMBL6885966 0.79 KMT2A (0.80) MEN1KMT2AMAPTALDH1A1AKR1B1
SCHEMBL24220168 0.78 FABP4 (1.00) FABP4MEN1KMT2AMAPTALDH1A1
SCHEMBL12008425 0.78 FABP4 (1.00) FABP4MEN1KMT2AMAPTALDH1A1
SCHEMBL6878476 0.78 AKR1B1 (0.68) MEN1KMT2AMAPTALDH1A1AKR1B1

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 FABP4 293/4885MEN1 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.