SCHEMBL22685647

SCHEMBL22685647

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PDE2A O00408 5/20 0.37
CACNA1H O95180 6/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
MAPK1 P28482 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
KCNN4 O15554 1/20 0.35
CFTR P13569 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL22685460 0.80 GRB2 (0.41) EPHX2NR1H4PDE2ACACNA1HOPRM1
SCHEMBL21036244 0.78 CA1 (0.47) EPHX2NR1H4ALDH1A1MAPTMAPK1
SCHEMBL22685609 0.75 EPHX2 (0.41) EPHX2NR1H4PDE2ACACNA1HKDM4C
SCHEMBL5762081 0.74 RAB9A (0.44) KDM4EALDH1A1MAPTMAPK1GAA
SCHEMBL29268055 0.74 ALDH1A1 (0.44) EPHX2NR1H4PDE2ACACNA1HALDH1A1
SCHEMBL23457134 0.73 MEN1 (0.46) KCNN4CFTR
SCHEMBL16934621 0.73 KMT2A (0.44) ALDH1A1MAPTMAPK1L3MBTL1KCNN4
SCHEMBL13986014 0.73 TRPV1 (0.45) KDM4EALDH1A1MAPTMAPK1KCNN4
SCHEMBL18884519 0.72 TSHR (0.39) EPHX2NR1H4MAPTOPRM1OPRL1
SCHEMBL506922 0.72 KCNN4 (0.64) ALDH1A1MAPTMAPK1L3MBTL1GAA

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.