SCHEMBL6884868

SCHEMBL6884868

CS(=O)(=O)c1ccc(C=CC=C2SC(=S)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
MAPT P10636 3/20 0.73
AKR1B1 P15121 3/20 0.73
ALDH1A1 P00352 2/20 0.73
NPC1 O15118 2/20 0.73
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
PTPN12 Q05209 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.52
ABCC3 O15438 1/20 0.50
ABCC4 O15439 1/20 0.50
AKR1B10 O60218 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL4863223 0.86 MAPT (0.80) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL7537933 0.86 MAPT (0.80) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL1315178 0.85 MAPT (1.00) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL10492259 0.85 MAPT (1.00) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL6886621 0.84 KMT2A (0.80) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL6886616 0.84 KMT2A (0.80) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL6885966 0.84 KMT2A (0.80) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL6887148 0.83 MAPT (0.73) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL6887177 0.82 MAPT (0.72) KMT2AMEN1MAPTAKR1B1ALDH1A1
SCHEMBL11936880 0.82 MEN1 (0.72) KMT2AMEN1MAPTAKR1B1ALDH1A1

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 KMT2A 1995/4885MEN1 838/4885MAPT 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.