SCHEMBL7247692

SCHEMBL7247692

Cc1cc(C)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ MAPT P10636 3/20 0.66
▸ PSMD14 O00487 1/20 0.66
▸ PKM P14618 1/20 0.66
▸ GFER P55789 1/20 0.66
▸ PTPN12 Q05209 1/20 0.57
▸ PTPN22 Q9Y2R2 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ AKR1B1 P15121 1/20 0.56
▸ PLG P00747 1/20 0.55

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
SCHEMBL7247695 1.00 KMT2A (0.66) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL20558928 0.91 KMT2A (0.62) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL20558930 0.91 KMT2A (0.62) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL6881330 0.85 KMT2A (0.61) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL6881328 0.85 KMT2A (0.61) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL6885160 0.81 KMT2A (0.65) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL6885161 0.81 KMT2A (0.65) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL7050939 0.81 PTPN12 (0.62) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL7050943 0.81 PTPN12 (0.62) KMT2AMEN1MAPTPSMD14PKM
SCHEMBL6886576 0.81 MEN1 (0.59) KMT2AMEN1MAPTPSMD14PKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.

Send feedback