SCHEMBL2064970

SCHEMBL2064970

O=C1NC(=S)S/C1=C/c1cc(Br)ccc1OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 10/20 0.75
PTPN1 P18031 3/20 0.56
CCR5 P51681 1/20 0.55
MGAM O43451 2/20 0.54
GAA P10253 2/20 0.54
SI P14410 2/20 0.54
MGAM2 Q2M2H8 2/20 0.54
GSK3B P49841 2/20 0.52

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
SCHEMBL10090208 1.00 PTP4A3 (0.75) PTP4A3PTPN1CCR5MGAMGAA
SCHEMBL2064972 1.00 PTP4A3 (0.75) PTP4A3PTPN1CCR5MGAMGAA
SCHEMBL10090196 0.88 PTP4A3 (0.67) PTP4A3PTPN1MGAMGAASI
SCHEMBL2065289 0.88 PTP4A3 (0.67) PTP4A3PTPN1MGAMGAASI
SCHEMBL2065288 0.88 PTP4A3 (0.67) PTP4A3PTPN1MGAMGAASI
SCHEMBL2066172 0.86 PTP4A3 (1.00) PTP4A3PTPN1GSK3B
SCHEMBL2066174 0.86 PTP4A3 (1.00) PTP4A3PTPN1GSK3B
SCHEMBL10090207 0.86 PTP4A3 (1.00) PTP4A3PTPN1GSK3B
SCHEMBL2181282 0.84 PTP4A3 (1.00) PTP4A3PTPN1MGAMGAASI
SCHEMBL2066462 0.84 PTP4A3 (0.81) PTP4A3PTPN1GSK3B

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 26/4885CCR5 3245/4885

“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.