SCHEMBL20281610

SCHEMBL20281610

NCCNC(=O)C(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
PTPN1 P18031 3/20 0.49
PTPN6 P29350 3/20 0.49
PTPN11 Q06124 3/20 0.49
ACP1 P24666 8/20 0.47
PTPN12 Q05209 4/20 0.47
PTPN13 Q12923 3/20 0.47
SSU72 Q9NP77 3/20 0.47
PTPN7 P35236 2/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
NAAA Q02083 2/20 0.42

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
SCHEMBL20281608 0.91 SRC (0.51) SRCPTPN1PTPN6PTPN11ACP1
SCHEMBL11630026 0.81 SRC (0.58) SRCPTPN1PTPN6PTPN11ACP1
SCHEMBL20281612 0.78 SRC (0.63) SRCPTPN1PTPN6PTPN11ACP1
SCHEMBL17596567 0.76 CES2 (0.50) CNR1CNR2TACR1TACR3NAAA
SCHEMBL20281457 0.74 CA12 (0.46) SRCACP1PTPN12PTPN13SSU72
Hydrochloric Acid SCHEMBL11651001 0.74 CNR1 (0.46) CNR1CNR2TACR1TACR3NAAA
SCHEMBL9706850 0.72 SRC (0.70) SRCPTPN1PTPN6PTPN11ACP1
SCHEMBL13619014 0.72 SRC (0.70) SRCPTPN1PTPN6PTPN11ACP1
SCHEMBL20869602 0.72 SRC (1.00) SRCPTPN1PTPN6PTPN11ACP1
SCHEMBL11166146 0.72 SRC (1.00) SRCPTPN1PTPN6PTPN11ACP1

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-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 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-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF PTPA, EPM2A, PTPRA SRC 201/4885PTPN1 33/4885PTPN6 28/4885

“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.