SCHEMBL4846110

SCHEMBL4846110

Cc1nc2c(-c3ccc(C(F)(F)F)cc3)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 6/20 0.44
TOP1 P11387 2/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
JAK2 O60674 1/20 0.38
KIF11 P52732 2/20 0.37
ADAMTS7 Q9UKP4 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL4846484 0.87 TNF (0.47) ENPP1TNKSTNKS2KIF11TRPV1
SCHEMBL4843130 0.82 SMN1; SMN2 (0.51) ENPP1TOP1JAK2KIF11ALDH1A1
SCHEMBL4851511 0.82 ENPP1 (0.50) ENPP1TOP1JAK2KIF11TRPV1
SCHEMBL12637463 0.82 ENPP1 (0.41) ENPP1TOP1JAK2TRPV1NPC1
SCHEMBL900791 0.81 ALOX5 (0.43) ENPP1NPC1ALDH1A1
SCHEMBL901023 0.79 ENPP1 (0.41) ENPP1
SCHEMBL900782 0.78 HSD11B1 (0.44) TRPV1ALDH1A1
SCHEMBL3281335 0.77 TRPV1 (0.61) TRPV1
SCHEMBL22891113 0.76 ALDH1A1 (0.43) NPC1ALDH1A1GAA
SCHEMBL19629705 0.74 L3MBTL1 (0.53) ENPP1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
EP-1670794-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2006-06-21 EP disclosed
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-07-14 US disclosed
WO-2005033105-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-04-14 WO 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-20050153984-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ENPP1 4182/4885TOP1 2619/4885TNKS 2409/4885

“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.