SCHEMBL4412376

SCHEMBL4412376

O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1CCS(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 1.00
DUSP3 P51452 9/20 1.00
PTPRC P08575 5/20 1.00
DUSP1 P28562 5/20 1.00
PTPN7 P35236 5/20 1.00
CDC25A P30304 4/20 1.00
DNMT1 P26358 3/20 0.72
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 2/20 0.60
BLM P54132 1/20 0.58
PLEC Q15149 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PTP4A3 O75365 1/20 0.56
DUSP4 Q13115 1/20 0.56
PTP4A1 Q93096 1/20 0.56
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
GALK1 P51570 1/20 0.54

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
SCHEMBL4412367 1.00 PTPN1 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL4410666 0.91 PTPN1 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL4410661 0.91 PTPN1 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL8931565 0.90 PTPN1 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL1904707 0.90 PTPN1 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL1904709 0.90 PTPN1 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL1904704 0.90 PTPN1 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL7859598 0.87 DUSP3 (0.90) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL1903068 0.87 DUSP3 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7
SCHEMBL1903069 0.87 DUSP3 (1.00) PTPN1DUSP3PTPRCDUSP1PTPN7

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 2 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-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 PTPN1 15/4885DUSP3 56/4885PTPRC 5/4885

“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.