SCHEMBL6885996

SCHEMBL6885996

COc1cc(C)c(C=CC=C2SC(=S)N(CC(=O)O)C2=O)cc1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PDE4B Q07343 1/20 0.49
PTPN1 P18031 1/20 0.48
GFER P55789 3/20 0.48
PSMD14 O00487 1/20 0.48
PKM P14618 1/20 0.48
CASP6 P55212 1/20 0.47
POLB P06746 2/20 0.46
DUSP3 P51452 1/20 0.46
BLM P54132 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6885662 0.84 AKR1B1 (0.60) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL1590448 0.80 MEN1 (0.73) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL10969600 0.80 MEN1 (0.73) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL6884993 0.79 MEN1 (0.54) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL6887532 0.78 TAS2R14 (0.57) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL10492201 0.78 MAPT (0.67) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL10492196 0.78 MAPT (0.67) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL6887177 0.77 MAPT (0.72) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL6886704 0.77 MEN1 (0.51) AKR1B1MEN1KMT2AMAPTNPC1
SCHEMBL6885986 0.77 AKR1B1 (0.64) AKR1B1MEN1KMT2AMAPTNPC1

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 AKR1B1 417/4885MEN1 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.