SCHEMBL4246942

SCHEMBL4246942

O=C(Nc1ccc(C(F)(F)F)nc1)C1=C(O)CC(Cc2ccccc2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
KCNH2 Q12809 2/20 0.37
USP30 Q70CQ3 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL4246935 0.85 NPC1 (0.47)
SCHEMBL4238554 0.84 EPHX2 (0.42) TRPV1CLK2DYRK1AKCNH2USP30
SCHEMBL13744285 0.82 BUB1 (0.40)
SCHEMBL4245920 0.82 MEN1 (0.43)
SCHEMBL4243214 0.81 KMT2A (0.45)
SCHEMBL4238703 0.81 NPC1 (0.41)
SCHEMBL4249844 0.78 SMN1; SMN2 (0.46)
SCHEMBL13743523 0.77 SMN1; SMN2 (0.47)
SCHEMBL4240480 0.77 PORCN (0.44) HDAC4
SCHEMBL24168453 0.77 SLC6A3 (0.44) KCNH2SLC6A3TAAR1HDAC4

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 TRPV1 1897/4885CLK2 4097/4885DYRK1A 4329/4885

“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.