SCHEMBL22774258

SCHEMBL22774258

C=C(C)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NR2E1 Q9Y466 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
NOTUM Q6P988 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 3/20 0.33
FURIN P09958 1/20 0.32
KIF11 P52732 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
ADORA1 P30542 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29927652 1.00 CES2 (0.41) CES2TSHRMAPK1NR2E1GPBAR1
SCHEMBL20615653 0.86 CES2 (0.54) CES2NOTUMGAARXRARXRB
SCHEMBL28490298 0.84 CES2 (0.43) CES2TSHRMAPK1NR2E1GPBAR1
SCHEMBL23590674 0.82 CES2 (0.42) CES2TSHRMAPK1NR2E1GPBAR1
SCHEMBL4974165 0.81 CES2 (0.50) CES2TSHRMAPK1GPBAR1NOTUM
SCHEMBL22572900 0.79 FURIN (0.46) TSHRFURINALDH1A1
SCHEMBL9585561 0.79 FURIN (0.41) TSHRFURINALDH1A1CYP3A4
SCHEMBL13954751 0.78 CES2 (0.42) CES2GPBAR1NOTUMMAPT
SCHEMBL19623264 0.78 CES2 (0.42) CES2GPBAR1NOTUMRXRARXRB
SCHEMBL1660123 0.78 PTGS1 (0.45) CES2GPBAR1NOTUMGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
EP-3983388-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2022-04-20 EP disclosed
WO-2020249669-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-12-17 WO disclosed
WO-2020249669-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 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-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF IL1B, IL1A, CASP1 CES2 3379/4885TSHR 4645/4885MAPK1 580/4885

“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.