SCHEMBL6886565

SCHEMBL6886565

Cc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 1/20 0.77
▸ PTPN22 Q9Y2R2 1/20 0.77
▸ AKR1B1 P15121 6/20 0.70
▸ PTPN1 P18031 3/20 0.70
▸ MMP3 P08254 2/20 0.70
▸ MMP13 P45452 2/20 0.70
▸ KMT2A Q03164 2/20 0.67
▸ CASP6 P55212 1/20 0.64
▸ GFER P55789 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ MAPT P10636 1/20 0.61

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
SCHEMBL10491513 1.00 PTPN12 (0.77) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6886567 1.00 PTPN12 (0.77) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL30250172 0.96 PTPN12 (0.72) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL439556 0.93 PTPN12 (0.67) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL25207676 0.89 PTPN12 (0.69) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL25997484 0.88 AKR1B1 (0.83) AKR1B1PTPN1MMP3MMP13KMT2A
SCHEMBL25992865 0.88 MEN1 (0.68) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL10492188 0.88 PTPN12 (0.79) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL10492208 0.88 PTPN12 (0.79) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL14652602 0.88 PTPN12 (0.79) PTPN12PTPN22AKR1B1PTPN1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206412-B2 Thioxothiazolidine inhibitors COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-12-08 — — US disclosed
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 PTPN12 3368/4885PTPN22 3165/4885AKR1B1 417/4885

“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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