SCHEMBL6887201

SCHEMBL6887201

CC(C)(C)c1cc(C=CC=C2SC(=S)N(CC(=O)O)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
MAPT P10636 5/20 0.65
ALDH1A1 P00352 3/20 0.65
AKR1B1 P15121 3/20 0.65
NPC1 O15118 2/20 0.65
DUSP26 Q9BV47 1/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 2/20 0.47
MCOLN3 Q8TDD5 2/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
AKR1B10 O60218 1/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL6888287 0.87 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL6888291 0.87 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL6887177 0.83 MAPT (0.72) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL1315178 0.79 MAPT (1.00) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL10492259 0.79 MAPT (1.00) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL7537933 0.79 MAPT (0.80) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL4863223 0.79 MAPT (0.80) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL6884868 0.77 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL10492274 0.77 AKR1B1 (0.77) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL10492279 0.77 AKR1B1 (0.77) KMT2AMEN1MAPTALDH1A1AKR1B1

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.