SCHEMBL15829196

SCHEMBL15829196

Cc1ccccc1C#Cc1c(-c2ccccc2C(F)(F)F)n(C)c2cc(O)c(C(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 15/20 0.41
PTPN1 P18031 3/20 0.37
PTPRC P08575 2/20 0.37
PTPN2 P17706 2/20 0.37
PTPN6 P29350 2/20 0.37
PTPN9 P43378 2/20 0.37
DUSP3 P51452 2/20 0.37
PTPN22 Q9Y2R2 2/20 0.37
EPM2A O95278 1/20 0.37
PTPRG P23470 1/20 0.37
ACP1 P24666 1/20 0.37
PTPN7 P35236 1/20 0.37
PTPN13 Q12923 1/20 0.37
DUSP22 Q9NRW4 1/20 0.37
CDC14A Q9UNH5 1/20 0.37
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL13738533 0.93 PTPN11 (0.42) PTPN11PTPN1PTPRCPTPN2PTPN6
SCHEMBL15829161 0.87 PTPN11 (0.41) PTPN11PTPN1PTPRCPTPN2PTPN6
SCHEMBL13738019 0.85 PTPN11 (0.48) PTPN11PTPN1PTPRCPTPN2PTPN6
SCHEMBL13738188 0.85 PTPN11 (0.44) PTPN11PTPN1PTPRCPTPN2PTPN6
SCHEMBL13737481 0.84 PTPN11 (0.54) PTPN11PTPN1PTPRCPTPN2PTPN6
SCHEMBL13738214 0.83 ALDH1A1 (0.40) PTPN11
SCHEMBL13736592 0.83 PTPN11 (0.49) PTPN11PTPN1PTPRCPTPN2PTPN6
SCHEMBL13739517 0.82 PTPN22 (0.54) PTPN11PTPN1PTPRCPTPN2PTPN6
SCHEMBL13737247 0.80 PTPN11 (0.39) PTPN11PTPN1PTPRCPTPN6PTPN22
SCHEMBL13737724 0.79 PTPN11 (0.57) PTPN11

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 2 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

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 PTPN11 142/4885PTPN1 62/4885PTPRC 26/4885

“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.