SCHEMBL22803871

SCHEMBL22803871

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(F)c2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.56
ESR1 P03372 1/20 0.52
MTOR P42345 3/20 0.51
STING1 Q86WV6 1/20 0.51
BAZ1A Q9NRL2 1/20 0.48
MAPT P10636 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
GOT1 P17174 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL22803873 0.86 EPHX2 (0.55) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL22803571 0.86 EPHX2 (0.55) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL22803291 0.85 EPHX2 (0.54) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL22803568 0.84 EPHX2 (0.52) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL22778031 0.83 STING1 (0.58) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL29714421 0.83 STING1 (0.58) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL22803587 0.83 EPHX2 (0.51) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL22803879 0.83 EPHX2 (0.51) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL22803722 0.82 STING1 (0.52) EPHX2ESR1MTORSTING1BAZ1A
SCHEMBL22803884 0.82 EPHX2 (0.50) EPHX2ESR1MTORSTING1BAZ1A

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 3661/4885MTOR 2065/4885

“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.