SCHEMBL6884952

SCHEMBL6884952

CCCC(C(C(=O)O)C(=O)O)N1C(=O)C(=Cc2ccccc2OC)SC1=S

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
NPSR1 Q6W5P4 1/20 0.59
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
MAPK1 P28482 4/20 0.55
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 3/20 0.49
RECQL P46063 2/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
PTPN1 P18031 2/20 0.49
THRB P10828 1/20 0.48
ATM Q13315 1/20 0.48
CTNNB1 P35222 1/20 0.48
TCF7L2 Q9NQB0 1/20 0.48

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
SCHEMBL6881144 0.91 MAPT (0.56) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6881148 0.91 MAPT (0.56) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6886492 0.91 MAPT (0.56) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6884792 0.85 MAPT (0.53) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6884791 0.85 MAPT (0.53) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6884298 0.82 MAPT (0.66) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6884294 0.82 MAPT (0.66) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6884981 0.82 MEN1 (0.55) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6884972 0.82 MEN1 (0.55) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6882963 0.81 PTPN1 (0.55) MAPTNPSR1KMT2AMEN1MAPK1

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 3886/4885NPSR1 1523/4885KMT2A 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.