SCHEMBL6887148

SCHEMBL6887148

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
ALDH1A1 P00352 4/20 0.73
NPC1 O15118 4/20 0.73
AKR1B1 P15121 3/20 0.73
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
PTPN12 Q05209 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
THRB P10828 2/20 0.51
RECQL P46063 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
BLM P54132 1/20 0.51
ABCC3 O15438 1/20 0.50
ABCC4 O15439 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
SCHEMBL8181494 0.89 MAPT (0.64) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL11936880 0.88 MEN1 (0.72) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6886551 0.88 MEN1 (0.83) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL10418612 0.88 PTPN12 (0.69) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL7492436 0.88 PTPN12 (0.69) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL7492440 0.88 PTPN12 (0.69) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL6886374 0.88 MAPT (0.56) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6886378 0.88 MAPT (0.56) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL4863223 0.86 MAPT (0.80) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL7537933 0.86 MAPT (0.80) MAPTMEN1KMT2AALDH1A1NPC1

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 3886/4885MEN1 838/4885KMT2A 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.