SCHEMBL22954107

SCHEMBL22954107

COC(=O)c1nc2ccc(C(F)(F)F)cc2n1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.43
▸ MAPT P10636 1/20 0.39
▸ DYRK1A Q13627 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CSNK1D P48730 3/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ MAT2A P31153 1/20 0.35

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
SCHEMBL17161370 0.83 CFTR (0.46) CFTRMAPTDYRK1ALMNAKDM4E
SCHEMBL17161508 0.75 CFTR (0.46) CFTRMAPTDYRK1ALMNAKDM4E
SCHEMBL1708022 0.67 ALDH1A1 (0.48) CFTRMAPTALDH1A1PDE2APDE10A
SCHEMBL17161369 0.66 HRH4 (0.59) CFTRMAPTDYRK1ALMNAKDM4E
SCHEMBL2407572 0.66 KDM4E (0.48) CFTRMAPTDYRK1ALMNAKDM4E
SCHEMBL19579754 0.65 CFTR (0.49) CFTRMAPTDYRK1ALMNAKDM4E
SCHEMBL2139237 0.65 CFTR (0.49) CFTRKDM4EALDH1A1KDRMAT2A
SCHEMBL2136119 0.65 ALDH1A1 (0.48) CFTRMAPTLMNAKDM4EALDH1A1
SCHEMBL422201 0.65 CFTR (0.69) CFTRMAPTLMNAKDM4EALDH1A1
SCHEMBL8230156 0.64 S1PR1 (0.42) DYRK1ACSNK1DS1PR1

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 2 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-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 CFTR 2319/4885MAPT 2445/4885DYRK1A 1310/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 CFTR 2319/4885MAPT 2445/4885DYRK1A 1310/4885

“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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