SCHEMBL19459549

SCHEMBL19459549

COC(=O)Nc1cc(-c2cccc(C(=O)N3CCN(C(=O)O)CC3)c2)c(OC)nc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.44
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ABL1 P00519 6/20 0.38
▸ BCR P11274 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC6A7 Q99884 2/20 0.37
▸ ATR Q13535 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
SCHEMBL30526250 0.90 CRBN (0.45) MGLLPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20647586 0.75 CRBN (0.47) MGLLPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19459427 0.71 PTPN11 (0.38) KCNH2ABL1RAB9A
SCHEMBL30526262 0.70 CHRM3 (0.40) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL30526247 0.68 MEN1 (0.37) ABL1MEN1RAB9AKMT2A
SCHEMBL17681704 0.68 HTT (0.37) ABL1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL30526239 0.68 HTT (0.37) ABL1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL30526263 0.67 ALDH1A1 (0.43) ABL1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL19459272 0.66 ALDH1A1 (0.37) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL16898350 0.65 ABL1 (0.82) ABL1BCR

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 6 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
US-10118890-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-11-06 — — US disclosed
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 (6 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 MGLL 1326/4885PIK3CD 4601/4885PIK3CA 4454/4885
US-10118890-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, ARSA, ALK MGLL 1297/4885PIK3CD 4602/4885PIK3CA 4456/4885
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK MGLL 1391/4885PIK3CD 4600/4885PIK3CA 4467/4885
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 MGLL 1476/4885PIK3CD 4499/4885PIK3CA 4277/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 MGLL 1476/4885PIK3CD 4499/4885PIK3CA 4277/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 MGLL 1367/4885PIK3CD 4544/4885PIK3CA 4478/4885

“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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