SCHEMBL4957526

SCHEMBL4957526

O=C1CN(c2cc(-c3cccc(NC(=O)C(F)(F)F)c3)ccc2OCc2ccccc2)S(=O)(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
MGLL Q99685 3/20 0.44
LRRK2 Q5S007 4/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F10 P00742 2/20 0.38
ENPP2 Q13822 2/20 0.37
PPIA P62937 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL4647333 0.86 PTPN1 (0.53) PTPN1MGLLLRRK2F10PPIA
SCHEMBL3220243 0.82 PTPN1 (0.54) PTPN1HDAC1HDAC7HDAC8HDAC6
SCHEMBL4646366 0.80 PTPN1 (0.61) PTPN1MRGPRX4
SCHEMBL4646708 0.80 PTPN1 (0.60) PTPN1ENPP2MRGPRX4
SCHEMBL4643501 0.79 PTPN1 (0.62) PTPN1MRGPRX4
SCHEMBL4646595 0.77 PTPN1 (0.53) PTPN1LRRK2MRGPRX4
SCHEMBL4648546 0.76 PTPN1 (0.57) PTPN1
SCHEMBL4646706 0.76 PTPN1 (0.57) PTPN1MGLLMRGPRX4
SCHEMBL4646906 0.76 PTPN1 (0.53) PTPN1
SCHEMBL3920457 0.76 PTPN1 (0.61) PTPN1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 PTPN1 10/4885MGLL 730/4885LRRK2 413/4885

“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.