SCHEMBL6884972

SCHEMBL6884972

CCCC(C(C(=O)O)C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2O)SC1=S

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
MAPT P10636 7/20 0.55
PTPN1 P18031 6/20 0.54
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 3/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
RECQL P46063 2/20 0.45
GSK3B P49841 1/20 0.45
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6884981 1.00 MEN1 (0.55) MEN1KMT2AMAPTPTPN1MAPK1
SCHEMBL6884952 0.82 MAPT (0.68) MEN1KMT2AMAPTPTPN1MAPK1
SCHEMBL6886503 0.81 PTPN1 (0.57) MEN1KMT2AMAPTPTPN1MAPK1
SCHEMBL6884792 0.80 MAPT (0.53) MEN1KMT2AMAPTPTPN1MAPK1
SCHEMBL6884791 0.80 MAPT (0.53) MEN1KMT2AMAPTPTPN1MAPK1
SCHEMBL6888293 0.80 MEN1 (0.54) MEN1KMT2AMAPTPTPN1MAPK1
SCHEMBL6888288 0.80 MEN1 (0.54) MEN1KMT2AMAPTPTPN1MAPK1
SCHEMBL6884984 0.79 MEN1 (0.51) MEN1KMT2AMAPTPTPN1MAPK1
SCHEMBL6886043 0.79 MEN1 (0.50) MEN1KMT2AMAPTPTPN1ALDH1A1
SCHEMBL6887688 0.78 MEN1 (0.57) MEN1KMT2AMAPTPTPN1ALDH1A1

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 MEN1 838/4885KMT2A 1995/4885MAPT 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.