SCHEMBL22954025

SCHEMBL22954025

O=[N+]([O-])c1cc(C(F)(F)F)cc2c1nnn2OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TXNRD1 Q16881 1/20 0.44
▸ TXNRD3 Q86VQ6 1/20 0.44
▸ TXNRD2 Q9NNW7 1/20 0.44
▸ PLK1 P53350 1/20 0.42
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL26231896 0.84 GPR35 (0.37) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL3435023 0.80 PLK1 (0.51) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL26185909 0.77 SMN1; SMN2 (0.36) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL22954052 0.73 PLK1 (0.42) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL11867676 0.70 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL22954095 0.70 PLK1 (0.40) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL8855525 0.68 PLK1 (0.53) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL8855627 0.68 CYP3A4 (0.43) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL22954104 0.67 PKM (0.47) ALOX15LMNAMAPK1HTTKDM4E
SCHEMBL8855456 0.65 CYP3A4 (0.43) ALDH1A1TDP1CYP3A4TSHRHPGD

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 ALDH1A1 1490/4885TDP1 2207/4885CYP3A4 74/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 ALDH1A1 1490/4885TDP1 2207/4885CYP3A4 74/4885

“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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