SCHEMBL7250592

SCHEMBL7250592

O=C(O)CN1C(=O)C(=Cc2ccc(O)c(O)c2O)SC1=S

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 1/20 0.59
▸ PTPN22 Q9Y2R2 1/20 0.59
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ NSD2 O96028 1/20 0.58
▸ HSP90AA1 P07900 1/20 0.58
▸ APOBEC3G Q9HC16 1/20 0.58
▸ POLB P06746 2/20 0.56
▸ MAPT P10636 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ PSMD14 O00487 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ GFER P55789 1/20 0.56

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
SCHEMBL7250589 1.00 PTPN12 (0.59) PTPN12PTPN22KMT2AMEN1NSD2
SCHEMBL18102937 0.89 MEN1 (0.73) PTPN12PTPN22KMT2AMEN1NSD2
SCHEMBL8182644 0.87 AKR1B1 (0.62) PTPN22
SCHEMBL8182647 0.87 AKR1B1 (0.62) PTPN22
SCHEMBL12866322 0.84 PTPN12 (0.58) PTPN12PTPN22KMT2AMEN1MAPT
SCHEMBL18103064 0.83 KMT2A (0.61) PTPN12PTPN22KMT2AMEN1NSD2
SCHEMBL18095824 0.83 KMT2A (0.61) PTPN12PTPN22KMT2AMEN1NSD2
SCHEMBL18095823 0.83 KMT2A (0.61) PTPN12PTPN22KMT2AMEN1NSD2
SCHEMBL10492300 0.82 PPARG (0.61) KMT2AMEN1POLBMAPTGFER
SCHEMBL10492303 0.82 PPARG (0.61) KMT2AMEN1POLBMAPTGFER

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 PTPN12 3368/4885PTPN22 3165/4885KMT2A 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.

Send feedback