SCHEMBL18289908

SCHEMBL18289908

O=C(CS(=O)(=O)O)Nc1nc2ccccc2s1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
MAPK1 P28482 4/20 0.72
ACP1 P24666 8/20 0.67
CSNK1D P48730 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
POLB P06746 1/20 0.66
NCS1 P62166 1/20 0.63
ADORA1 P30542 1/20 0.61
DYRK1A Q13627 1/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61

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
SCHEMBL25938107 0.82 CSNK1D (0.69) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
SCHEMBL29282910 0.82 DYRK1A (0.69) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
SCHEMBL4858014 0.82 CSNK1D (0.69) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
SCHEMBL6206186 0.82 RAB9A (0.72) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
SCHEMBL29485044 0.82 DYRK1A (0.69) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
SCHEMBL29485043 0.82 DYRK1A (0.69) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
Ethylene SCHEMBL8167289 0.82 CSNK1D (0.69) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
SCHEMBL7933388 0.82 HDAC3 (0.71) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
SCHEMBL5313704 0.82 CSNK1D (0.69) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2
Hydrochloric Acid SCHEMBL25333657 0.81 CSNK1D (0.68) ALDH1A1MAPK1ACP1CSNK1DSMN1; SMN2

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 ALDH1A1 1680/4885MAPK1 1259/4885ACP1 66/4885
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF PTPA, PTPRA, PTPRCAP ALDH1A1 2439/4885MAPK1 852/4885ACP1 75/4885

“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.