SCHEMBL20647665

SCHEMBL20647665

COC(=O)N(O)c1cnc(OC)c(-c2ccc(F)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ PIK3C3 Q8NEB9 2/20 0.38
▸ CTSA P10619 5/20 0.38
▸ SCN9A Q15858 3/20 0.37
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ PIM1 P11309 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
SCHEMBL19459466 0.89 KMO (0.39) ALPLAXLPIK3C3CTSASCN9A
SCHEMBL19487055 0.89 PIK3C3 (0.38) ALPLAXLPIK3C3CTSASCN9A
SCHEMBL25962937 0.88 ALPL (0.41) ALPLCTSAOXTRAVPR1AMAPK14
SCHEMBL17671183 0.77 AXL (0.41) ALPLAXLPIK3C3CTSASCN9A
SCHEMBL19459294 0.76 KDM4E (0.40) —
SCHEMBL17671207 0.75 NPC1 (0.39) ALPLAXLPIK3C3CTSASCN9A
SCHEMBL22360842 0.74 NNMT (0.33) PIK3C3CTSAOXTRAVPR1AFGFR3
SCHEMBL19487056 0.73 S100A9 (0.37) PIK3C3PRKAA1
SCHEMBL30526249 0.73 S100A9 (0.37) PIK3C3PRKAA1
SCHEMBL19459557 0.73 HDAC4 (0.32) PIK3C3CTSA

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-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 — — US disclosed
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-20 — — US disclosed
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-09 — — US disclosed
US-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-01-17 — — 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 (4 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-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK ALPL 4243/4885AXL 1159/4885PIK3C3 2604/4885
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 ALPL 4093/4885AXL 896/4885PIK3C3 2453/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALPL 4093/4885AXL 896/4885PIK3C3 2453/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALPL 4490/4885AXL 1680/4885PIK3C3 2870/4885

“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.

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