SCHEMBL6879804

SCHEMBL6879804

CCCC(C(C(=O)O)C(=O)O)N1C(=O)C(=Cc2cc(OC)c(OC(C)=O)c(OC)c2)SC1=S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.57
ALDH1A1 P00352 7/20 0.57
PTPN1 P18031 3/20 0.49
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
POLB P06746 4/20 0.49
RECQL P46063 3/20 0.49
MAPK1 P28482 3/20 0.49
THRB P10828 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MCL1 Q07820 1/20 0.45
HPGD P15428 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
SCHEMBL6879801 1.00 MAPT (0.57) MAPTALDH1A1PTPN1MEN1KMT2A
SCHEMBL6884298 0.92 MAPT (0.66) MAPTALDH1A1PTPN1MEN1KMT2A
SCHEMBL6884294 0.92 MAPT (0.66) MAPTALDH1A1PTPN1MEN1KMT2A
SCHEMBL6888288 0.87 MEN1 (0.54) MAPTALDH1A1PTPN1MEN1KMT2A
SCHEMBL6888293 0.87 MEN1 (0.54) MAPTALDH1A1PTPN1MEN1KMT2A
SCHEMBL6887688 0.83 MEN1 (0.57) MAPTALDH1A1PTPN1MEN1KMT2A
SCHEMBL6879808 0.79 MAPT (0.52) MAPTALDH1A1PTPN1MEN1KMT2A
SCHEMBL6884952 0.79 MAPT (0.68) MAPTALDH1A1PTPN1MEN1KMT2A
SCHEMBL6886503 0.78 PTPN1 (0.57) MAPTPTPN1MEN1KMT2APOLB
SCHEMBL6884791 0.78 MAPT (0.53) MAPTALDH1A1PTPN1MEN1KMT2A

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 1340/4885PTPN1 2479/4885

“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.