SCHEMBL6885662

SCHEMBL6885662

COc1ccc(C=CC=C2SC(=S)N(CC(=O)O)C2=O)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
TAS2R14 Q9NYV8 2/20 0.56
PDE4B Q07343 1/20 0.52
PTPN1 P18031 1/20 0.50

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
SCHEMBL6887532 0.84 TAS2R14 (0.57) AKR1B1MEN1MAPTKMT2ANPC1
SCHEMBL6885996 0.84 AKR1B1 (0.57) AKR1B1MEN1MAPTKMT2ANPC1
SCHEMBL17319547 0.82 TAS2R14 (0.81) AKR1B1MEN1MAPTKMT2ATAS2R14
SCHEMBL6884847 0.81 TAS2R14 (0.60) AKR1B1MEN1MAPTKMT2ANPC1
SCHEMBL6881090 0.79 KMT2A (0.65) AKR1B1MEN1MAPTKMT2ANPC1
SCHEMBL6885986 0.79 AKR1B1 (0.64) AKR1B1MEN1MAPTKMT2ANPC1
SCHEMBL13005078 0.78 TAS2R14 (0.80) AKR1B1MEN1KMT2ATAS2R14PDE4B
SCHEMBL12008785 0.78 TAS2R14 (0.85) MEN1MAPTKMT2AALDH1A1TAS2R14
SCHEMBL18095845 0.78 MEN1 (0.74) AKR1B1MEN1MAPTKMT2AALDH1A1
SCHEMBL20558646 0.78 AKR1B1 (0.60) AKR1B1MEN1KMT2ATAS2R14PDE4B

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 AKR1B1 417/4885MEN1 838/4885MAPT 3886/4885

“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.