SCHEMBL22803280

SCHEMBL22803280

COC(=O)c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
ESR1 P03372 1/20 0.47
STING1 Q86WV6 1/20 0.46
DHPS P49366 1/20 0.44
BAZ1A Q9NRL2 1/20 0.43
MTOR P42345 1/20 0.43
PTGES O14684 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CFTR P13569 1/20 0.42
GOT1 P17174 1/20 0.42
BRAF P15056 2/20 0.42
KDR P35968 2/20 0.42
MAPK14 Q16539 2/20 0.42
TNNI3K Q59H18 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL22803291 0.87 EPHX2 (0.54) EPHX2ESR1STING1DHPSBAZ1A
SCHEMBL22803884 0.86 EPHX2 (0.50) EPHX2ESR1STING1DHPSBAZ1A
SCHEMBL22803346 0.85 EPHX2 (0.49) EPHX2ESR1STING1DHPSBAZ1A
SCHEMBL22777985 0.85 ESR1 (0.45) EPHX2ESR1STING1BAZ1AMTOR
SCHEMBL29714352 0.85 ESR1 (0.45) EPHX2ESR1STING1BAZ1AMTOR
SCHEMBL22803587 0.85 EPHX2 (0.51) EPHX2ESR1STING1BAZ1AMTOR
SCHEMBL22803871 0.82 EPHX2 (0.56) EPHX2ESR1STING1BAZ1AMTOR
SCHEMBL22803571 0.81 EPHX2 (0.55) EPHX2ESR1STING1BAZ1AMTOR
SCHEMBL22803873 0.81 EPHX2 (0.55) EPHX2ESR1STING1BAZ1AMTOR
SCHEMBL22803582 0.81 ESR1 (0.49) EPHX2ESR1STING1BAZ1AMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 EPHX2 2928/4885ESR1 3661/4885STING1 1/4885

“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.