SCHEMBL2065371

SCHEMBL2065371

O=C1NC(=S)S/C1=C/c1cc(Br)ccc1OCCCN1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 7/20 0.63
▸ HRH3 Q9Y5N1 2/20 0.63
▸ GSK3B P49841 2/20 0.50
▸ PTPN1 P18031 4/20 0.49
▸ CISD1 Q9NZ45 2/20 0.47
▸ MGAM O43451 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47
▸ PTPN2 P17706 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2065372 1.00 PTP4A3 (0.63) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL10090309 1.00 PTP4A3 (0.63) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL2065979 0.95 PTP4A3 (0.64) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL2065975 0.95 PTP4A3 (0.64) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL10090303 0.95 PTP4A3 (0.64) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL10090308 0.88 PTP4A3 (0.69) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL2066282 0.88 PTP4A3 (0.69) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL2067503 0.86 PTP4A3 (0.61) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL2067501 0.86 PTP4A3 (0.61) PTP4A3HRH3GSK3BPTPN1CISD1
SCHEMBL10090241 0.86 PTP4A3 (0.61) PTP4A3HRH3GSK3BPTPN1CISD1

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 28/4885HRH3 2211/4885GSK3B 390/4885

“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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