SCHEMBL19459537

SCHEMBL19459537

CC(=O)Nc1cccc(F)c1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL19459460 0.83 RXFP1 (0.42) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL19459408 0.82 KCNK3 (0.47) ALDH1A1KDM4EL3MBTL1PDK1PDK2
SCHEMBL19459538 0.81 PDK1 (0.46) ALDH1A1KDM4ELMNAL3MBTL1PDK1
SCHEMBL27730891 0.80 MAOA (0.44) ALDH1A1KDM4ELMNAHPGDHDAC1
SCHEMBL6379686 0.78 KMT2A (0.49) ALDH1A1KDM4ELMNAHPGDHDAC1
SCHEMBL5016520 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAHPGDHDAC1
SCHEMBL5962103 0.76 POLB (0.56) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL1430696 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHPGDHDAC1
SCHEMBL30368335 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHPGDHDAC1
SCHEMBL1430533 0.74 RAB9A (0.69) ALDH1A1KDM4ELMNAHPGDPDK1

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 9 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-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
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
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 ALDH1A1 599/4885KDM4E 1722/4885LMNA 1816/4885
US-10118890-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, ARSA, ALK ALDH1A1 604/4885KDM4E 1726/4885LMNA 1806/4885
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK ALDH1A1 549/4885KDM4E 1696/4885LMNA 1772/4885
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 ALDH1A1 778/4885KDM4E 2013/4885LMNA 1773/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 778/4885KDM4E 2013/4885LMNA 1773/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 1123/4885KDM4E 695/4885LMNA 1993/4885

“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.