SCHEMBL6885684

SCHEMBL6885684

COc1ccc(C=C2SC(=S)N(C(CC(=O)O)C(=O)O)C2=O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
MAPK1 P28482 3/20 0.66
RECQL P46063 3/20 0.66
POLB P06746 3/20 0.66
CTNNB1 P35222 2/20 0.63
TCF4 P15884 1/20 0.63
ALDH1A1 P00352 4/20 0.62
MCL1 Q07820 1/20 0.60
BAK1 Q16611 1/20 0.60
THRB P10828 1/20 0.60
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
AKR1B1 P15121 3/20 0.59
ADAMTS5 Q9UNA0 1/20 0.59
PTPN1 P18031 3/20 0.57

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
SCHEMBL6885682 1.00 MAPT (0.66) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL6887140 0.92 MEN1 (0.78) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL6887142 0.92 MEN1 (0.78) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL6888323 0.90 ADAMTS5 (0.76) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL6888325 0.90 ADAMTS5 (0.76) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL6888051 0.84 MAPT (0.71) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL6888053 0.84 MAPT (0.71) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL6887088 0.84 MAPT (0.74) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6887091 0.84 MAPT (0.74) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6879842 0.83 MAPT (0.73) MAPTMEN1KMT2AMAPK1RECQL

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.