SCHEMBL1908533

SCHEMBL1908533

CC1(C)OCc2ccc(CN)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 10/20 0.35
SLC5A1 P13866 9/20 0.35
NOS1 P29475 4/20 0.34
NOS2 P35228 4/20 0.34
NOS3 P29474 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 1/20 0.34
OPRD1 P41143 1/20 0.34
ROCK2 O75116 1/20 0.33
AKT1 P31749 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL19741280 0.88 TRPM8 (0.35) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL30187892 0.88 TRPM8 (0.35) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL1908556 0.84 SLC5A2 (0.45) SLC5A2SLC5A1BACE1
SCHEMBL9116383 0.82 SLC5A2 (0.39) SLC5A2SLC5A1
SCHEMBL30648685 0.76 CA9 (0.38) ALDH1A1SMN1; SMN2OPRD1BACE1
SCHEMBL16172610 0.73 SLC5A1 (0.34) SLC5A2SLC5A1SMN1; SMN2CYP3A4
SCHEMBL23463196 0.72 PGR (0.33)
SCHEMBL309789 0.72 KDM1A (0.36) ALDH1A1BACE1
SCHEMBL18474236 0.72 PGR (0.45) SLC5A2SLC5A1
SCHEMBL30648842 0.72 KDM1A (0.36) ALDH1A1BACE1

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-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 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-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP SLC5A2 146/4885SLC5A1 103/4885NOS1 1435/4885

“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.