SCHEMBL22480003

SCHEMBL22480003

CS(=O)(=O)OC1CN(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ LIPE Q05469 7/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ PROKR1 Q8TCW9 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CHRM4 P08173 1/20 0.39

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
SCHEMBL18357675 0.81 LIPE (0.42) LIPEPTGS2CHRM4
SCHEMBL21410680 0.77 BPTF (0.42) NR1H2NR1H3L3MBTL1
SCHEMBL22480002 0.77 KCNA5 (0.44) PPARDLIPEEPHX2CACNA1BCHRM4
SCHEMBL15022978 0.75 ACACB (0.52) —
SCHEMBL1471204 0.74 PPARD (0.42) PPARDLIPEPOLBL3MBTL1EPHX2
SCHEMBL1471203 0.74 PPARD (0.42) PPARDLIPEPOLBL3MBTL1EPHX2
SCHEMBL1589266 0.73 LIPE (0.59) LIPE
SCHEMBL11604 0.73 LIPE (0.59) LIPE
SCHEMBL1471142 0.73 POLB (0.42) PPARDLIPEPOLBL3MBTL1EPHX2
SCHEMBL1471144 0.73 POLB (0.42) PPARDLIPEPOLBL3MBTL1EPHX2

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-20200308169-A1 HETEROCYCLIC COMPOUNDS AS ANTIBACTERIALS Janssen Sciences Ireland Unlimited Company (IE) 2020-10-01 — — 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-20200308169-A1 HETEROCYCLIC COMPOUNDS AS ANTIBACTERIALS SQOR, NQO1, NDUFS3 PPARD 128/4885KIF11 4667/4885LIPE 4034/4885

“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.

Send feedback