SCHEMBL2066172

SCHEMBL2066172

O=C1NC(=S)S/C1=C/c1cc(Br)ccc1OCc1ccccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 11/20 1.00
PTPN1 P18031 5/20 0.62
GSK3B P49841 1/20 0.57
ADAMTS5 Q9UNA0 1/20 0.53
PTPN2 P17706 1/20 0.51
PTPN6 P29350 1/20 0.51
PPARG P37231 1/20 0.51

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
SCHEMBL10090207 1.00 PTP4A3 (1.00) PTP4A3PTPN1GSK3BADAMTS5PTPN2
SCHEMBL2066174 1.00 PTP4A3 (1.00) PTP4A3PTPN1GSK3BADAMTS5PTPN2
SCHEMBL885422 0.91 PTP4A3 (0.83) PTP4A3PTPN1GSK3BADAMTS5
SCHEMBL2065839 0.91 PTP4A3 (0.83) PTP4A3PTPN1GSK3BADAMTS5
SCHEMBL2066164 0.90 PTP4A3 (0.81) PTP4A3PTPN1GSK3BADAMTS5
SCHEMBL10090222 0.90 PTP4A3 (0.81) PTP4A3PTPN1GSK3BADAMTS5PTPN2
SCHEMBL2066162 0.90 PTP4A3 (0.81) PTP4A3PTPN1GSK3BADAMTS5
SCHEMBL2065640 0.90 PTP4A3 (1.00) PTP4A3PTPN1GSK3BADAMTS5
SCHEMBL2066459 0.90 PTP4A3 (0.81) PTP4A3PTPN1GSK3BADAMTS5PTPN2
SCHEMBL2066462 0.90 PTP4A3 (0.81) PTP4A3PTPN1GSK3BADAMTS5PTPN2

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 9 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
EP-3310355-B1 PTP4A3 INHIBITOR FOR THE TREATMENT OF CANCER UNIV VIRGINIA PATENT FOUNDATION (US) 2020-11-11 EP disclosed
US-10308663-B2 Inhibitors of PTP4A3 for the treatment of cancer UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2019-06-04 US disclosed
US-20180170946-A1 INHIBITORS OF PTP4A3 FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-21 US disclosed
US-20180170946-A1 INHIBITORS OF PTP4A3 FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-21 US disclosed
WO-2016205534-A1 INHIBITORS OF PTP4A3 FOR THE TREATMENT OF CANCER LAZO JOHN S (US) 2016-12-22 WO disclosed
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 (3 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 26/4885GSK3B 390/4885
US-10308663-B2 Inhibitors of PTP4A3 for the treatment of cancer PTP4A3, PTPRCAP, PTP4A1 PTP4A3 1/4885PTPN1 24/4885GSK3B 325/4885
US-20180170946-A1 INHIBITORS OF PTP4A3 FOR THE TREATMENT OF CANCER PTP4A3, PTPRCAP, PTP4A1 PTP4A3 1/4885PTPN1 24/4885GSK3B 325/4885

“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.