SCHEMBL13736229

SCHEMBL13736229

COC(=O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3C(F)(F)F)n(C)c2cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN11 Q06124 9/20 0.41
PTPN22 Q9Y2R2 5/20 0.41
PTPN6 P29350 4/20 0.41
PTPRC P08575 3/20 0.41
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
PTPN9 P43378 3/20 0.41
DUSP3 P51452 3/20 0.41
EPM2A O95278 2/20 0.39
PTPRG P23470 2/20 0.39
ACP1 P24666 2/20 0.39
PTPN7 P35236 2/20 0.39
PTPN13 Q12923 2/20 0.39
DUSP22 Q9NRW4 2/20 0.39
CDC14A Q9UNH5 2/20 0.39

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
SCHEMBL13735852 0.92 PTPN22 (0.45) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL13736592 0.92 PTPN11 (0.49) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL13736534 0.91 L3MBTL1 (0.44) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL13737903 0.87 L3MBTL1 (0.42) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL13739517 0.86 PTPN22 (0.54) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL13738214 0.86 ALDH1A1 (0.40) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL15829161 0.83 PTPN11 (0.41) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL13738188 0.83 PTPN11 (0.44) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL13738019 0.79 PTPN11 (0.48) L3MBTL1ALDH1A1GLAHPGDTDP1
SCHEMBL13737481 0.78 PTPN11 (0.54) L3MBTL1ALDH1A1GLAHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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

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-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS PPP3CB, PPP4C, PTPRB L3MBTL1 2441/4885ALDH1A1 803/4885GLA 2209/4885

“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.