SCHEMBL6879808

SCHEMBL6879808

COc1cc(C=C2SC(=S)N(C(CCCC(=O)O)CC(=O)O)C2=O)cc(OC)c1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 3/20 0.52
CTNNB1 P35222 2/20 0.50
TCF4 P15884 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
RECQL P46063 2/20 0.45
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 1/20 0.43
PAX8 Q06710 1/20 0.43
LMNA P02545 1/20 0.43
KLKB1 P03952 1/20 0.43
GAA P10253 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL6884300 0.93 MAPT (0.60) MAPTALDH1A1CTNNB1TCF4TAS2R14
SCHEMBL6888296 0.88 CTNNB1 (0.52) MAPTALDH1A1CTNNB1TCF4TAS2R14
SCHEMBL6879804 0.79 MAPT (0.57) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL6879801 0.79 MAPT (0.57) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL6884794 0.79 CTNNB1 (0.50) MAPTALDH1A1CTNNB1TCF4TAS2R14
SCHEMBL6883757 0.77 MAPT (0.48) MAPTALDH1A1CTNNB1TCF4MEN1
SCHEMBL6884984 0.76 MEN1 (0.51) MAPTALDH1A1CTNNB1TCF4TAS2R14
SCHEMBL6884841 0.74 POLB (0.46) MAPTALDH1A1CTNNB1TCF4MEN1
SCHEMBL12008426 0.73 CTNNB1 (0.79) MAPTALDH1A1CTNNB1TCF4TAS2R14
SCHEMBL6881152 0.73 POLB (0.54) MAPTALDH1A1CTNNB1MEN1KMT2A

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 3886/4885ALDH1A1 1340/4885CTNNB1 3198/4885

“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.