SCHEMBL2068342

SCHEMBL2068342

c1csc(C2CCOC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KIF11 P52732 1/20 0.33
BRD4 O60885 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL454997 0.90 MAPT (0.43) MAPTGAAPOLBKDM4EHTT
SCHEMBL26662121 0.84
SCHEMBL497608 0.79
Hydrochloric Acid SCHEMBL11286601 0.77
SCHEMBL498606 0.74 MAPT (0.47) MAPTGAAPOLBKDM4EHTT
SCHEMBL8133890 0.74
SCHEMBL930295 0.73 MAPT (0.46) MAPTGAAPOLBKDM4EHTT
SCHEMBL663162 0.73 MAPT (0.46) MAPTGAAPOLBKDM4EHTT
Methylamine SCHEMBL28610020 0.73 MAPT (0.46) MAPTGAAPOLBKDM4EHTT
Cyanide SCHEMBL27408712 0.73 MAPT (0.46) MAPTGAAPOLBKDM4EHTT

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-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 US disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 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 (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-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD MAPT 1551/4885GAA 521/4885POLB 94/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD MAPT 1551/4885GAA 521/4885POLB 94/4885

“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.