SCHEMBL2066090

SCHEMBL2066090

O=C1NC(=S)S/C1=C/c1cc(Br)ccc1Oc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 7/20 0.65
▸ CISD1 Q9NZ45 4/20 0.58
▸ CA2 P00918 1/20 0.55
▸ GSK3B P49841 2/20 0.54
▸ MMP3 P08254 2/20 0.52
▸ MMP13 P45452 2/20 0.52
▸ PTPN1 P18031 1/20 0.50
▸ MAOB P27338 1/20 0.49
▸ NAT1 P18440 1/20 0.49

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
SCHEMBL10090254 1.00 PTP4A3 (0.65) PTP4A3CISD1CA2GSK3BMMP3
SCHEMBL2066092 1.00 PTP4A3 (0.65) PTP4A3CISD1CA2GSK3BMMP3
SCHEMBL885486 0.93 PTP4A3 (0.72) PTP4A3CISD1CA2GSK3BMMP3
SCHEMBL2065770 0.93 PTP4A3 (0.72) PTP4A3CISD1CA2GSK3BMMP3
SCHEMBL10090247 0.93 PTP4A3 (0.72) PTP4A3CISD1CA2GSK3BMMP3
SCHEMBL2064968 0.90 PTP4A3 (0.65) PTP4A3CISD1GSK3BMMP3MMP13
SCHEMBL10090253 0.90 PTP4A3 (0.65) PTP4A3CISD1GSK3BMMP3MMP13
SCHEMBL2064969 0.90 PTP4A3 (0.65) PTP4A3CISD1GSK3BMMP3MMP13
SCHEMBL10090280 0.88 PTP4A3 (0.69) PTP4A3CISD1CA2GSK3BPTPN1
SCHEMBL2066551 0.88 PTP4A3 (0.69) PTP4A3CISD1CA2GSK3BPTPN1

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-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
WO-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 — — 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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS PTP4A3 28/4885CISD1 4740/4885CA2 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.

Send feedback