SCHEMBL18289895

SCHEMBL18289895

COc1cccc2sc(NC(=O)C(c3ccccc3)S(=O)(=O)O)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 13/20 1.00
▸ PTPN7 P35236 1/20 0.65
▸ PTPN12 Q05209 1/20 0.65
▸ PTPN13 Q12923 1/20 0.65
▸ SSU72 Q9NP77 1/20 0.65
▸ DYRK1A Q13627 1/20 0.61
▸ TMIGD3 P0DMS9 1/20 0.55
▸ ADORA1 P30542 1/20 0.55
▸ DUSP3 P51452 1/20 0.54
▸ CHRM4 P08173 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ RAB9A P51151 1/20 0.53

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
SCHEMBL18289899 0.86 ACP1 (1.00) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289894 0.84 ACP1 (1.00) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289707 0.79 ACP1 (1.00) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL20660046 0.79 DYRK1A (0.80) ACP1DYRK1ATMIGD3ADORA1DUSP3
SCHEMBL18289901 0.78 ACP1 (1.00) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL2899015 0.77 ACP1 (0.63) ACP1DYRK1ATMIGD3ADORA1DUSP3
SCHEMBL3045307 0.77 DUSP3 (0.82) ACP1DYRK1ATMIGD3ADORA1DUSP3
SCHEMBL3047328 0.76 DYRK1A (0.80) ACP1DYRK1ATMIGD3ADORA1DUSP3
SCHEMBL15376502 0.76 DYRK1A (1.00) ACP1DYRK1ATMIGD3ADORA1DUSP3
SCHEMBL3050805 0.75 DYRK1A (0.78) ACP1DYRK1ATMIGD3ADORA1DUSP3

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-2016196569-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 — — WO disclosed
WO-2016196591-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS 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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