SCHEMBL21536701

SCHEMBL21536701

CC(C)c1ccc(F)c(NCC2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
GRIN2B Q13224 1/20 0.35
PTGER4 P35408 3/20 0.34
SOS1 Q07889 1/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
P2RX3 P56373 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EP300 Q09472 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL12327196 0.79 GLA (0.43) BACE1BACE2LIPCLIPGPTGER4
SCHEMBL22751309 0.78 CASR (0.36)
SCHEMBL17073530 0.77 KLKB1 (0.50) SOS1
SCHEMBL17064891 0.77 KLKB1 (0.50) SOS1
SCHEMBL20376232 0.76 LIPC (0.38) BACE1BACE2LIPCLIPGPTGER4
SCHEMBL20201882 0.76 CASR (0.41)
SCHEMBL21324939 0.75 LIPC (0.45) BACE1BACE2LIPCLIPGPTGER4
SCHEMBL11994358 0.74 SMN1; SMN2 (0.39) KDM4E
SCHEMBL23993618 0.73 EPHX1 (0.51) BACE1EPHX1EPHX2GRIN2BSIGMAR1
SCHEMBL21349077 0.73 CNR2 (0.46) EPHX1EPHX2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 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 (2 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-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT BACE1 1274/4885BACE2 1154/4885LIPC 1200/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT BACE1 1274/4885BACE2 1154/4885LIPC 1200/4885

“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.