SCHEMBL4244319

SCHEMBL4244319

CC(C)CC1CC(O)=C(C(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 5/20 0.39
PTGS1 P23219 2/20 0.38
RORC P51449 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37

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
SCHEMBL4238268 0.87 TRPV1 (0.42) TRPV1NPC1EPHX2
SCHEMBL4238554 0.85 EPHX2 (0.42) TRPV1EPHX2
SCHEMBL4246935 0.82 NPC1 (0.47) NPC1RAB9APTGS1
SCHEMBL4246954 0.81 NPY5R (0.44) NPC1RAB9A
SCHEMBL4542615 0.81 DEGS1 (0.46) NPC1RAB9ARORC
SCHEMBL13743546 0.81 KMT2A (0.44)
SCHEMBL4242180 0.81 MAPT (0.46) NPC1RAB9A
SCHEMBL4242059 0.80 ALDH1A1 (0.51) NPC1RAB9A
SCHEMBL13743531 0.77 KMT2A (0.38) NPC1RAB9A
SCHEMBL13743509 0.77 NPC1 (0.51) NPC1RAB9APTGS1

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 1897/4885NPC1 163/4885RAB9A 2428/4885

“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.