SCHEMBL26231577

SCHEMBL26231577

COC(=O)c1cc(C(C)(C)C)cc(C(=O)OC)c1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ NOTUM Q6P988 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 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
SCHEMBL26231666 0.94 TRPV1 (0.42) CFTRTRPV1EPHX2NR1H4NOTUM
SCHEMBL22954106 0.83 CA12 (0.49) CFTRKDM4EALDH1A1HPGDLMNA
SCHEMBL22954314 0.83 CFTR (0.41) CFTRNOTUMKDM4EALDH1A1HPGD
SCHEMBL15743690 0.78 KDM4E (0.43) CFTRKDM4EALDH1A1HPGDLMNA
SCHEMBL24001528 0.77 CFTR (0.41) CFTRKDM4EALDH1A1HPGDLMNA
SCHEMBL5664156 0.77 RXRA (0.52) CFTRKDM4EALDH1A1HPGDLMNA
SCHEMBL15086981 0.75 KDM4E (0.41) CFTRKDM4EALDH1A1HPGDLMNA
SCHEMBL4725566 0.75 HSD17B10 (0.46) NOTUMKDM4EALDH1A1HPGDLMNA
SCHEMBL1303731 0.75 CFTR (0.49) CFTRKDM4EALDH1A1HPGDLMNA
SCHEMBL26231756 0.75 FFAR4 (0.41) CFTRNOTUMKDM4EALDH1A1HPGD

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 CFTR 2319/4885TRPV1 4592/4885EPHX2 346/4885

“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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