SCHEMBL13734913

SCHEMBL13734913

O=C(O)c1cc2c(C#Cc3cccc(C(F)(F)F)c3)c(-c3ccccc3)oc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 20/20 1.00
PTPN11 Q06124 11/20 1.00
PTPN6 P29350 10/20 1.00
PTPRC P08575 10/20 1.00
PTPN9 P43378 10/20 1.00
PTPN2 P17706 9/20 1.00
PTPN1 P18031 9/20 1.00
DUSP3 P51452 9/20 1.00
PTPRG P23470 3/20 1.00
ACP1 P24666 3/20 1.00
PTPN7 P35236 3/20 1.00
PTPN13 Q12923 3/20 1.00
DUSP22 Q9NRW4 3/20 1.00
CDC14A Q9UNH5 3/20 1.00
EPM2A O95278 2/20 1.00

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
SCHEMBL15829181 0.87 PTPN22 (1.00) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL15829159 0.85 PTPN22 (0.83) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL13734961 0.82 PTPN22 (1.00) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL13737097 0.81 PTPN22 (1.00) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL15829183 0.79 PTPN22 (0.82) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL15829160 0.79 PTPN22 (0.88) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL15829185 0.79 PTPN22 (1.00) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL15829166 0.78 PTPN22 (0.78) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL18231232 0.78 PTPN22 (0.80) PTPN22PTPN11PTPN6PTPRCPTPN9
SCHEMBL15829174 0.77 PTPN22 (1.00) PTPN22PTPN11PTPN6PTPRCPTPN9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103561573-A Tyrosine phosphatases and their use in modulating the activity of enzymes involved in the pathology of Mycobacterium tuberculosis UNIV INDIANA RES & TECH CORP 2014-02-05 CN claimed
WO-2012149049-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMES INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-11-01 WO claimed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
WO-2023092094-A2 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. (US) 2023-05-25 WO disclosed
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES 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
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-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2014-06-26 US disclosed
US-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2014-06-26 US disclosed
CN-103561573-A Tyrosine phosphatases and their use in modulating the activity of enzymes involved in the pathology of Mycobacterium tuberculosis UNIV INDIANA RES & TECH CORP 2014-02-05 CN disclosed
WO-2012149049-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMES INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-11-01 WO disclosed
WO-2012149048-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF LYP INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-11-01 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 (4 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 PTPN22 24/4885PTPN11 60/4885PTPN6 28/4885
US-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS PPP3CB, PPP4C, PTPRB PTPN22 69/4885PTPN11 142/4885PTPN6 84/4885
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF PTPA, PTPRA, PTPRCAP PTPN22 13/4885PTPN11 48/4885PTPN6 23/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 PTPN22 1032/4885PTPN11 1753/4885PTPN6 1097/4885

“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.