SCHEMBL6879204

SCHEMBL6879204

CCCCCc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 10/20 0.70
▸ PTPN1 P18031 7/20 0.70
▸ PTPN12 Q05209 1/20 0.66
▸ PTPN22 Q9Y2R2 1/20 0.66
▸ MMP3 P08254 2/20 0.61
▸ MMP13 P45452 2/20 0.61
▸ PTPN2 P17706 2/20 0.61
▸ KMT2A Q03164 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 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
SCHEMBL6879207 1.00 AKR1B1 (0.70) AKR1B1PTPN1PTPN12PTPN22MMP3
SCHEMBL6887175 0.92 PTPN12 (0.70) AKR1B1PTPN1PTPN12PTPN22MMP3
SCHEMBL6887171 0.92 PTPN12 (0.70) AKR1B1PTPN1PTPN12PTPN22MMP3
SCHEMBL8204543 0.89 AKR1B1 (0.66) AKR1B1PTPN1
SCHEMBL8204542 0.89 AKR1B1 (0.66) AKR1B1PTPN1
SCHEMBL10417660 0.87 PTPN12 (0.73) AKR1B1PTPN1PTPN12PTPN22MMP3
SCHEMBL10417661 0.87 PTPN12 (0.73) AKR1B1PTPN1PTPN12PTPN22MMP3
SCHEMBL6881111 0.86 AKR1B1 (0.68) AKR1B1PTPN1PTPN12PTPN22PTPN2
SCHEMBL8180180 0.85 AKR1B1 (0.67) AKR1B1PTPN1
SCHEMBL8180178 0.85 AKR1B1 (0.67) AKR1B1PTPN1

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 2479/4885PTPN12 3368/4885

“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.

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