SCHEMBL2066616

SCHEMBL2066616

O=C1NC(=S)S/C1=C/c1ccc(OCCBr)cc1OCc1ccccc1Br

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 9/20 0.68
PTPN1 P18031 3/20 0.52
CA2 P00918 1/20 0.51
GSK3B P49841 4/20 0.50
NAT1 P18440 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL2066619 1.00 PTP4A3 (0.68) PTP4A3PTPN1CA2GSK3BNAT1
SCHEMBL10090313 1.00 PTP4A3 (0.68) PTP4A3PTPN1CA2GSK3BNAT1
SCHEMBL2066455 0.93 PTP4A3 (0.74) PTP4A3PTPN1CA2GSK3B
SCHEMBL2066452 0.93 PTP4A3 (0.74) PTP4A3PTPN1CA2GSK3B
SCHEMBL2065351 0.90 PTP4A3 (0.62) PTP4A3PTPN1CA2GSK3BNAT1
SCHEMBL2065349 0.90 PTP4A3 (0.62) PTP4A3PTPN1CA2GSK3BNAT1
SCHEMBL2064963 0.87 PTP4A3 (0.61) PTP4A3PTPN1CA2GSK3B
SCHEMBL2065513 0.87 PTP4A3 (0.61) PTP4A3PTPN1CA2GSK3BMEN1
SCHEMBL2065515 0.87 PTP4A3 (0.61) PTP4A3PTPN1CA2GSK3BMEN1
SCHEMBL2064964 0.87 PTP4A3 (0.61) PTP4A3PTPN1CA2GSK3B

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-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US claimed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US claimed
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS PTP4A3 28/4885PTPN1 26/4885CA2 1793/4885

“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.