SCHEMBL22954114

SCHEMBL22954114

On1nnc2c(Cl)cc(C(F)(F)F)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.49
▸ GABRA2 P47869 10/20 0.40
▸ GABRB2 P47870 10/20 0.40
▸ GABRB3 P28472 10/20 0.40
▸ KIF20B Q96Q89 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ PDE10A Q9Y233 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
SCHEMBL3283183 0.81 PKM (0.50) PKMGRM2
SCHEMBL3278014 0.77 MAPK1 (0.37) PKMGRM2
SCHEMBL3435023 0.74 PLK1 (0.51) PKM
SCHEMBL7812114 0.70 PDE2A (0.38) GABRA2GABRB2GABRB3KIF20BPDE2A
SCHEMBL3285305 0.69 MAPK1 (0.37) PKM
SCHEMBL29693589 0.69 PKM (0.75) PKMGRM2PDE2APDE10A
SCHEMBL1812769 0.69 PKM (0.75) PKMGRM2PDE2APDE10A
SCHEMBL6551713 0.68 PKM (0.57) PKMGRM2PDE2A
SCHEMBL3283730 0.68 MAPT (0.65) —
SCHEMBL3325917 0.67 PDE2A (0.42) GABRA2GABRB2GABRB3PDE2APDE10A

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 PKM 2785/4885GABRA2 3349/4885GABRB2 3861/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 PKM 2785/4885GABRA2 3349/4885GABRB2 3861/4885

“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.

Send feedback