SCHEMBL660341

SCHEMBL660341

COc1ccc(Cn2nc(C(F)(F)F)cc2C(OC(N)=O)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC1 P78348 2/20 0.41
F10 P00742 1/20 0.40
PTGER4 P35408 2/20 0.40
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MCTS1 Q9ULC4 1/20 0.40
AKR1C3 P42330 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL659074 0.84 EPHX1 (0.40) ASIC1F10PTGER4AKR1C3AKR1C2
SCHEMBL1056343 0.80 HDAC3 (0.43) PTGER4SLC16A3SLC16A1MCTS1AKR1C3
SCHEMBL4070158 0.78 ALDH1A1 (0.47) ASIC1F10AKR1C3ALDH1A1HDAC3
SCHEMBL2688186 0.77 GRN (0.57) F10PTGER4AKR1C3ALDH1A1HDAC3
SCHEMBL14549306 0.76 ALDH1A1 (0.63) F10PTGER4AKR1C3ALDH1A1HDAC3
Pivalate SCHEMBL27592717 0.74 MAPT (0.47) ASIC1F10AKR1C3ALDH1A1
SCHEMBL2686357 0.73 AKR1C3 (0.42) ASIC1PTGER4AKR1C3ALDH1A1HDAC3
SCHEMBL25263130 0.73 MAPT (0.41) SLC16A3SLC16A1MCTS1AKR1C3PTGS2
SCHEMBL29329022 0.73 MAPT (0.43) SLC16A3SLC16A1MCTS1AKR1C3ALDH1A1
SCHEMBL287302 0.73 AKR1C3 (0.41) ASIC1F10PTGER4AKR1C3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 ASIC1 38/4885F10 3567/4885PTGER4 454/4885

“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.