SCHEMBL4416907

SCHEMBL4416907

O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CCS(=O)(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.72
MAPT P10636 2/20 0.63
MAPK1 P28482 1/20 0.63
ATM Q13315 1/20 0.63
DUSP3 P51452 6/20 0.62
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PTPN1 P18031 4/20 0.51
PTPRC P08575 2/20 0.51
DUSP1 P28562 2/20 0.51
CDC25A P30304 2/20 0.51
PTPN7 P35236 2/20 0.51
DNMT1 P26358 1/20 0.50
PTPN2 P17706 2/20 0.49
CDC25B P30305 2/20 0.49
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
NCOA1 Q15788 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4416909 1.00 PPARG (0.72) PPARGMAPTMAPK1ATMDUSP3
SCHEMBL12008432 0.84 PPARG (1.00) PPARGMAPTMAPK1ATMNPC1
SCHEMBL7004561 0.84 PPARG (1.00) PPARGMAPTMAPK1ATMNPC1
SCHEMBL12008475 0.82 PPARG (0.88) PPARGMAPTMAPK1ATMNPC1
SCHEMBL10492235 0.81 PPARG (0.79) PPARGMAPTMAPK1ATMNPC1
SCHEMBL10492231 0.81 PPARG (0.79) PPARGMAPTMAPK1ATMNPC1
SCHEMBL17319556 0.81 PPARG (0.77) PPARGMAPTMAPK1ATMNPC1
SCHEMBL1905191 0.77 DUSP3 (0.81) MAPTDUSP3POLBKMT2A
SCHEMBL1905192 0.77 DUSP3 (0.81) MAPTDUSP3POLBKMT2A
SCHEMBL1905190 0.77 DUSP3 (0.81) MAPTDUSP3POLBKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP PPARG 4647/4885MAPT 2079/4885MAPK1 3270/4885

“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.