SCHEMBL6885216

SCHEMBL6885216

O=C(O)CN1C(=O)/C(=C/c2cc(OCc3ccccc3)ccc2O)SC1=S

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.73
PTPN1 P18031 6/20 0.73
MMP3 P08254 2/20 0.73
MMP13 P45452 2/20 0.73
GFER P55789 1/20 0.72
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
ADAMTS5 Q9UNA0 1/20 0.64
POLB P06746 4/20 0.63

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
SCHEMBL6885217 1.00 AKR1B1 (0.73) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL6884778 0.91 PTPN1 (0.74) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL6884783 0.91 PTPN1 (0.74) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL8182734 0.90 AKR1B1 (0.72) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL8182737 0.90 AKR1B1 (0.72) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL7147356 0.88 PTPN1 (0.73) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL19736260 0.87 PTPN1 (0.72) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL18095845 0.85 MEN1 (0.74) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL18102888 0.85 MEN1 (0.74) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL1060503 0.85 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13GFER

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 417/4885PTPN1 2479/4885MMP3 3403/4885

“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.