SCHEMBL19487055

SCHEMBL19487055

COc1ncc(N(O)C(C)=O)cc1-c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 3/20 0.38
▸ AXL P30530 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ OXTR P30559 1/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ CTSA P10619 5/20 0.36
▸ KMO O15229 2/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MAOB P27338 1/20 0.34

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
SCHEMBL19459466 0.90 KMO (0.39) PIK3C3AXLALPLOXTRAVPR1A
SCHEMBL20647665 0.89 ALPL (0.40) PIK3C3AXLALPLOXTRAVPR1A
SCHEMBL19483205 0.84 KMO (0.39) PIK3C3ALPLOXTRAVPR1AGPBAR1
SCHEMBL25962937 0.76 ALPL (0.41) ALPLOXTRAVPR1AGPBAR1CTSA
SCHEMBL17671206 0.76 CSF1R (0.37) AXLALPLCTSAKMOSCN9A
SCHEMBL17671183 0.75 AXL (0.41) PIK3C3AXLALPLCTSASCN9A
SCHEMBL17671207 0.73 NPC1 (0.39) PIK3C3AXLALPLCTSASCN9A
SCHEMBL19459553 0.72 HSPB1 (0.48) —
SCHEMBL22345002 0.66 DPP4 (0.36) AXLALPLKMOMAPK14
SCHEMBL17671204 0.65 CES2 (0.44) —

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-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-10-19 — — 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-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK PIK3C3 2512/4885AXL 1107/4885ALPL 4194/4885

“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.

Send feedback