SCHEMBL30679727

SCHEMBL30679727

Fc1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
AR P10275 1/20 0.51
FFAR4 Q5NUL3 1/20 0.46
TRPA1 O75762 3/20 0.46
BACE1 P56817 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
PTGS2 P35354 2/20 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
SCHEMBL22304414 0.91 AR (0.58) ARFFAR4TRPA1BACE1TRPM8
SCHEMBL24297565 0.89 AR (0.56) ARFFAR4TRPA1BACE1TRPM8
SCHEMBL11286015 0.84 KIF11 (0.54) ARFFAR4TRPA1BACE1TRPM8
SCHEMBL5523215 0.84 KIF11 (0.54) ARFFAR4TRPA1BACE1TRPM8
SCHEMBL29980535 0.84 KIF11 (0.54) ARFFAR4TRPA1BACE1TRPM8
SCHEMBL163729 0.84 HSD11B1 (0.55) ARFFAR4TRPA1BACE1TRPM8
Water SCHEMBL7091891 0.82 AR (0.55) ARFFAR4TRPA1BACE1TRPM8
Benzene SCHEMBL29143034 0.82 AR (0.50) ARFFAR4TRPA1BACE1TRPM8
Ammonia Solution, Strong SCHEMBL28126322 0.82 HSD11B1 (0.53) ARFFAR4TRPA1BACE1TRPM8
Water SCHEMBL27916635 0.82 AR (0.55) ARFFAR4TRPA1BACE1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230405015-A1 SUBSTITUTED 3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONES FOR THE TREATMENT OF SARCOMA BAYER AKTIENGESELLSCHAFT (DE) 2023-12-21 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 (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-20230405015-A1 SUBSTITUTED 3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONES FOR THE TREATMENT OF SARCOMA EWSR1, SDHA, IDH3B NR3C1 1099/4885PGR 2278/4885AR 712/4885

“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.