SCHEMBL18289826

SCHEMBL18289826

O=C(Nc1nc2ccccc2s1)C(c1ccccc1F)S(=O)(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 13/20 0.71
▸ PTPN7 P35236 1/20 0.71
▸ PTPN12 Q05209 1/20 0.71
▸ PTPN13 Q12923 1/20 0.71
▸ SSU72 Q9NP77 1/20 0.71
▸ CSNK1D P48730 1/20 0.54
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RECQL P46063 1/20 0.49

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
SCHEMBL18289821 0.86 ACP1 (0.71) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289707 0.83 ACP1 (1.00) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289819 0.79 ACP1 (0.82) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289823 0.76 ACP1 (0.65) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289801 0.76 ACP1 (0.78) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289892 0.75 ACP1 (1.00) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL11421487 0.74 RAB9A (0.77) ACP1CSNK1DRAB9ANPC1MEN1
SCHEMBL30553310 0.73 NPC1 (0.74) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL9036463 0.73 NPC1 (0.74) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL4918642 0.72 HTT (0.76) RAB9ANPC1MEN1KMT2AKDM4E

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-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 — — US disclosed
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES 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 66/4885PTPN7 48/4885PTPN12 53/4885
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF PTPA, PTPRA, PTPRCAP ACP1 75/4885PTPN7 32/4885PTPN12 45/4885

“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.

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