SCHEMBL6887375

SCHEMBL6887375

CCCCCCOc1ccccc1/C=C1/SC(=S)N(CC(=O)O)C1=O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.68
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
USP2 O75604 1/20 0.62
NCOA1 Q15788 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
AKR1B1 P15121 5/20 0.59
PTPN1 P18031 2/20 0.57
PPARG P37231 1/20 0.57
PTPN2 P17706 1/20 0.55
DNMT1 P26358 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL6887377 1.00 POLB (0.68) POLBKMT2AMEN1USP2NCOA1
SCHEMBL19736254 0.84 POLB (0.88) POLBKMT2AMEN1USP2NCOA1
SCHEMBL8712470 0.83 ADAMTS5 (0.71) AKR1B1PTPN1
SCHEMBL12008494 0.82 PPARG (0.74) POLBKMT2AMEN1NCOA3AKR1B1
SCHEMBL5219681 0.81 ADAMTS5 (0.84) AKR1B1PTPN1
SCHEMBL5219686 0.81 ADAMTS5 (0.84) AKR1B1PTPN1
SCHEMBL7145044 0.81 AKR1B1 (0.67) POLBKMT2AMEN1USP2NCOA1
SCHEMBL7145043 0.81 AKR1B1 (0.67) POLBKMT2AMEN1USP2NCOA1
SCHEMBL19736235 0.80 POLB (1.00) POLBKMT2AMEN1USP2NCOA1
SCHEMBL6886492 0.80 MAPT (0.56) POLBKMT2AMEN1PTPN1PPARG

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 POLB 2514/4885KMT2A 1995/4885MEN1 838/4885

“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.