SCHEMBL4421044

SCHEMBL4421044

O=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)[C@H]2CCC[C@H]2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
TRPV1 Q8NER1 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS1 P23219 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.40
DPP4 P27487 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL4421046 1.00 RXFP1 (0.46) RXFP1TRPV1MEN1POLBKMT2A
SCHEMBL4421045 1.00 RXFP1 (0.46) RXFP1TRPV1MEN1POLBKMT2A
SCHEMBL13598079 0.98 RXFP1 (0.48) RXFP1TRPV1MEN1POLBKMT2A
SCHEMBL4417924 0.86 EPHX2 (0.46) TRPV1MEN1POLBKMT2ANPC1
SCHEMBL4417929 0.86 EPHX2 (0.46) TRPV1MEN1POLBKMT2ANPC1
SCHEMBL13597896 0.86 TRPV1 (0.41) TRPV1NPC1RAB9A
SCHEMBL4415294 0.86 TRPV1 (0.41) TRPV1
SCHEMBL4417920 0.86 EPHX2 (0.46) TRPV1MEN1POLBKMT2ANPC1
SCHEMBL4417178 0.84 TRPV1 (0.43) TRPV1NPC1RAB9APTGS1EPHX2
SCHEMBL4417184 0.84 TRPV1 (0.43) TRPV1NPC1RAB9APTGS1EPHX2

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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 RXFP1 4700/4885TRPV1 1897/4885MEN1 2345/4885

“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.