SCHEMBL6884971

SCHEMBL6884971

CCCC(C(C(=O)O)C(=O)O)N1C(=O)/C(=C/c2cccc3c2OCO3)SC1=S

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 1/20 0.44
CTSL P07711 1/20 0.44
PTPN1 P18031 8/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAP3K5 Q99683 4/20 0.42
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41

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
SCHEMBL6884976 1.00 MEN1 (0.46) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6884952 0.79 MAPT (0.68) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6885982 0.79 MAPT (0.48) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6885985 0.79 MAPT (0.48) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6881144 0.78 MAPT (0.56) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6881148 0.78 MAPT (0.56) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6883752 0.78 MAPT (0.53) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6883748 0.78 MAPT (0.53) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6882967 0.76 PTPN1 (0.55) MEN1HPGDKMT2APOLBALOX12
SCHEMBL6882963 0.76 PTPN1 (0.55) MEN1HPGDKMT2APOLBALOX12

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 838/4885HPGD 1203/4885KMT2A 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.