SCHEMBL12210310

SCHEMBL12210310

Cc1cccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.72
▸ PTP4A3 O75365 8/20 0.65
▸ MEN1 O00255 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NOD2 Q9HC29 1/20 0.57
▸ NAT1 P18440 1/20 0.54
▸ CISD1 Q9NZ45 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ ADAMTS5 Q9UNA0 1/20 0.49
▸ MMP13 P45452 1/20 0.48

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
SCHEMBL10090185 0.93 PTP4A3 (0.69) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL2065170 0.93 PTP4A3 (0.69) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL10090288 0.90 PTP4A3 (0.64) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL2066176 0.89 PTP4A3 (0.77) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL2066177 0.89 PTP4A3 (0.77) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL10090290 0.89 PTP4A3 (0.77) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL10090289 0.89 PTP4A3 (0.64) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL884138 0.89 PTP4A3 (0.64) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL20005836 0.88 GSK3B (0.72) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL18102852 0.88 GSK3B (0.72) GSK3BPTP4A3MEN1POLBBLM

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-8357701-B2 Galactokinase inhibitors UNIVERSITY OF MIAMI (US) 2013-01-22 — — US disclosed
US-8357701-B2 Galactokinase inhibitors UNIVERSITY OF MIAMI (US) 2013-01-22 — — US disclosed
US-20110251236-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF MIAMI (US) 2011-10-13 — — US disclosed
US-20110251236-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF MIAMI (US) 2011-10-13 — — 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-20110251236-A1 GALACTOKINASE INHIBITORS GALK1, GALE, GALC GSK3B 1122/4885PTP4A3 2630/4885MEN1 3562/4885

“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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