SCHEMBL21881992

SCHEMBL21881992

CC(C)(C)OC(=O)NCC#Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.71
DDB1 Q16531 2/20 0.54
CRBN Q96SW2 2/20 0.54
CTSS P25774 4/20 0.46
CTSK P43235 3/20 0.46
ADRA2A P08913 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
P2RY6 Q15077 1/20 0.45
IDO1 P14902 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
KDM4A O75164 1/20 0.44
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SYK P43405 1/20 0.43
PTGES O14684 1/20 0.43

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
SCHEMBL7041264 0.91 PTPN11 (0.68) PTPN11DDB1CRBNCTSSCTSK
SCHEMBL5678390 0.87 PTPN11 (0.55) PTPN11DDB1CRBNCTSSCTSK
SCHEMBL7231271 0.87 PTPN11 (0.70) PTPN11DDB1CRBNCTSSCTSK
SCHEMBL13290619 0.85 PTPN11 (0.67) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL25693853 0.85 PTPN11 (0.67) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL11997705 0.85 PTPN11 (0.67) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL29691832 0.85 PTPN11 (0.67) PTPN11DDB1CRBNCTSSCTSK
SCHEMBL25276431 0.84 PTPN11 (0.83) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL24095072 0.84 PTPN11 (0.67) PTPN11DDB1CRBNCTSSCTSK
SCHEMBL24669699 0.84 PTPN11 (0.74) PTPN11DDB1CRBNADRA2ADRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 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 (3 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-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 PTPN11 292/4885DDB1 4817/4885CRBN 759/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS PTPN11 402/4885DDB1 4825/4885CRBN 658/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 PTPN11 292/4885DDB1 4817/4885CRBN 759/4885

“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.