SCHEMBL22954108

SCHEMBL22954108

O=[N+]([O-])c1cc(C(F)(F)F)c2nnn(O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ AR P10275 4/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL26231537 0.83 ALDH1A1 (0.43) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3279594 0.79 MAPT (0.67) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3283730 0.78 MAPT (0.65) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3278985 0.78 MAPT (0.65) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL22954282 0.78 MAPT (0.37) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL26231536 0.77 ALDH1A1 (0.43) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3283183 0.75 PKM (0.50) MAPTMAPK1PKMAR
SCHEMBL3435023 0.74 PLK1 (0.51) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3281052 0.72 MAPT (0.61) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6273996 0.69 MAPT (0.54) MAPTMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 — — 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 (2 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-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 MAPT 2445/4885MAPK1 4517/4885ALDH1A1 1490/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 MAPT 2445/4885MAPK1 4517/4885ALDH1A1 1490/4885

“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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