SCHEMBL140211

SCHEMBL140211

CCOC(=O)C(CC)(C(=O)OC)c1ccc(N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CFTR P13569 1/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNQ4 P56696 2/20 0.36
KCNQ5 Q9NR82 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ESR1 P03372 1/20 0.35
AR P10275 1/20 0.35
ESR2 Q92731 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11156490 0.84 POLB (0.37) POLBALDH1A1HTTHDAC1HDAC6
SCHEMBL142931 0.82 ALDH1A1 (0.56) POLBALDH1A1MAPTLMNANPC1
SCHEMBL112752 0.81 KCNQ3 (0.37) POLBALDH1A1HDAC1HDAC6KCNQ3
SCHEMBL30853648 0.81 TSHR (0.36) POLBALDH1A1HDAC1HDAC6KCNQ3
SCHEMBL140210 0.81 TSHR (0.36) POLBALDH1A1HDAC1HDAC6KCNQ3
SCHEMBL14035562 0.81 CNR2 (0.45) ALDH1A1HDAC1HDAC6MAPTKDM4E
SCHEMBL30192734 0.81 CNR2 (0.45) ALDH1A1HDAC1HDAC6MAPTKDM4E
SCHEMBL23070468 0.80 POLB (0.37) POLBALDH1A1HTTMAPTKDM4E
SCHEMBL6188164 0.76 HDAC1 (0.42) POLBALDH1A1HDAC1HDAC6CFTR
SCHEMBL3445900 0.76 CNR1 (0.48) POLBALDH1A1HDAC1HDAC6CFTR

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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK POLB 397/4885ALDH1A1 1469/4885HTT 4389/4885

“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.