SCHEMBL18289705

SCHEMBL18289705

Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(=O)(=O)O)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 16/20 1.00
PTPN12 Q05209 4/20 1.00
PTPN13 Q12923 3/20 0.61
SSU72 Q9NP77 3/20 0.61
PTPN7 P35236 2/20 0.61
PTPN1 P18031 3/20 0.57
PTPN6 P29350 3/20 0.57
PTPN11 Q06124 3/20 0.57
SRC P12931 1/20 0.47

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
SCHEMBL18289746 0.92 ACP1 (0.84) ACP1PTPN12PTPN13SSU72PTPN7
SCHEMBL20281435 0.77 ACP1 (0.62) ACP1PTPN12
SCHEMBL20281420 0.77 PTPN1 (0.78) ACP1PTPN12PTPN13SSU72PTPN7
SCHEMBL18289750 0.76 ACP1 (0.84) ACP1PTPN12PTPN13SSU72PTPN7
SCHEMBL18289703 0.76 ACP1 (1.00) ACP1PTPN12PTPN13SSU72PTPN7
SCHEMBL18289903 0.76 ACP1 (0.61) ACP1PTPN12
SCHEMBL18281591 0.76 PTPN1 (0.86) ACP1PTPN12PTPN13SSU72PTPN7
SCHEMBL18291877 0.76 PTPN1 (0.91) ACP1PTPN12PTPN13SSU72PTPN7
SCHEMBL20281609 0.74 PTPN1 (0.71) ACP1PTPN12PTPN13SSU72PTPN7
SCHEMBL18281617 0.74 PTPN1 (0.79) ACP1PTPN12PTPN13SSU72PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
US-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
WO-2016196591-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 WO disclosed
WO-2016196569-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 WO 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 (2 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 ACP1 66/4885PTPN12 53/4885PTPN13 39/4885
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF PTPA, PTPRA, PTPRCAP ACP1 75/4885PTPN12 45/4885PTPN13 30/4885

“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.