SCHEMBL6884835

SCHEMBL6884835

CCCC(C(C(=O)O)C(=O)O)N1C(=O)C(=Cc2ccc(O)c(C(C)(C)C)c2)SC1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 6/20 0.51
GAA P10253 2/20 0.51
PSMD14 O00487 1/20 0.51
NSD2 O96028 1/20 0.51
ALPL P05186 1/20 0.51
MMP2 P08253 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 5/20 0.51
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 2/20 0.51
OPRK1 P41145 1/20 0.51
BLM P54132 1/20 0.51
PTPN1 P18031 9/20 0.49
RECQL P46063 3/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL6884833 1.00 MEN1 (0.51) MEN1KMT2APOLBGAAPSMD14
SCHEMBL6886503 0.85 PTPN1 (0.57) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL6887136 0.82 PTPN1 (0.55) MEN1KMT2APOLBGAAPSMD14
SCHEMBL6886589 0.81 PTPN1 (0.56) MEN1KMT2AMAPTALDH1A1PTPN1
SCHEMBL6883748 0.81 MAPT (0.53) MEN1KMT2APOLBGAAPSMD14
SCHEMBL6883752 0.81 MAPT (0.53) MEN1KMT2APOLBGAAPSMD14
SCHEMBL6884215 0.80 PTPN1 (0.59) MEN1KMT2APOLBGAAMAPT
SCHEMBL6884953 0.80 MAPT (0.52) MEN1KMT2APOLBGAAPSMD14
SCHEMBL6884841 0.79 POLB (0.46) MEN1KMT2APOLBGAAPSMD14
SCHEMBL6888396 0.79 MAPT (0.56) MEN1KMT2APOLBMAPTALDH1A1

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 1995/4885POLB 2514/4885

“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.