SCHEMBL18701931

SCHEMBL18701931

CC(C)(C)C(=O)N1CCC(n2cccc2S(C)(=O)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 3/20 0.38
SPR P35270 1/20 0.38
AOC2 O75106 1/20 0.37
RIPK1 Q13546 3/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CXCR3 P49682 1/20 0.36
CYP2C9 P11712 1/20 0.35
SLC9A1 P19634 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX7 Q99572 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL18711433 0.88 SPR (0.48) MEN1KMT2ACYP3A4SPRAOC2
SCHEMBL18702227 0.82 SPR (0.41) MEN1KMT2ACYP3A4SPRRIPK1
SCHEMBL18701933 0.80 SPR (0.45) MEN1KMT2ACYP3A4SPRRIPK1
SCHEMBL18702073 0.76 SPR (0.44) MEN1KMT2ACYP3A4SPRRIPK1
SCHEMBL18711428 0.75 SPR (0.49) MEN1KMT2ASPRALDH1A1
SCHEMBL18701764 0.71 GAA (0.48) MEN1KMT2ACYP3A4RIPK1ALDH1A1
SCHEMBL18702013 0.69 SPR (0.45) MEN1KMT2ACYP3A4SPRDRD2
SCHEMBL18701930 0.69 SPR (0.47) MEN1KMT2ACYP3A4SPRAOC2
SCHEMBL18702120 0.69 SPR (0.42) MEN1KMT2ACYP3A4SPRIDO1
SCHEMBL18701899 0.68 CNR2 (0.39) MEN1KMT2ACYP3A4AOC2RIPK1

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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR MEN1 4876/4885KMT2A 2884/4885CYP3A4 436/4885

“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.