SCHEMBL22685609

SCHEMBL22685609

COC(=O)C(=O)c1ccc(C2(C(F)(F)F)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PDE2A O00408 5/20 0.38
KDM4C Q9H3R0 1/20 0.37
CACNA1H O95180 8/20 0.36
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
WDR5 P61964 1/20 0.34
PDK2 Q15119 2/20 0.33

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
SCHEMBL21036244 0.84 CA1 (0.47) EPHX2NR1H4PDK2
SCHEMBL22685480 0.80 CPT1B (0.44) EPHX2NR1H4PDE2AKDM4CCACNA1H
SCHEMBL22685618 0.79 EPHX2 (0.40) EPHX2NR1H4PDE2AKDM4CCACNA1H
SCHEMBL18291907 0.78 EPHX2 (0.42) EPHX2NR1H4PDE2AKDM4CPDK2
SCHEMBL20482655 0.78 CA1 (0.47) EPHX2NR1H4PDK2
SCHEMBL15505012 0.76 TSHR (0.46) EPHX2NR1H4KDM4CPDK2
SCHEMBL22685647 0.75 EPHX2 (0.38) EPHX2NR1H4PDE2AKDM4CCACNA1H
SCHEMBL15956637 0.74 CA12 (0.51) PDK2
SCHEMBL29268055 0.74 ALDH1A1 (0.44) EPHX2NR1H4PDE2AKDM4CCACNA1H
SCHEMBL21628708 0.74 HPGD (0.61) EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298172-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-09-22 US disclosed
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2022-05-31 US disclosed
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2022-05-31 US disclosed
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed
EP-3976623-A1 COMPOUNDS TARGETING PROTEINS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS Biotheryx, Inc. (US) 2022-04-06 EP disclosed
WO-2020242960-A1 COMPOUNDS TARGETING PROTEINS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2020-12-03 WO disclosed
WO-2020242960-A1 COMPOUNDS TARGETING PROTEINS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2020-12-03 WO disclosed
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2020-11-26 US disclosed
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2020-11-26 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 (3 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-20220298172-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS HSP90B1, EIF4EBP1, SERPINA6 EPHX2 4159/4885NR1H4 1254/4885PDE2A 2961/4885
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications HSP90B1, EIF4EBP1, SERPINA6 EPHX2 4159/4885NR1H4 1254/4885PDE2A 2961/4885
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS HSP90B1, EIF4EBP1, SERPINA6 EPHX2 4159/4885NR1H4 1254/4885PDE2A 2961/4885

“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.