SCHEMBL18701899

SCHEMBL18701899

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 3/20 0.35
DPP4 P27487 1/20 0.35
AOC2 O75106 1/20 0.34
RIPK1 Q13546 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC9A1 P19634 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 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
SCHEMBL18701858 0.80 DPP4 (0.38) MEN1KMT2AALDH1A1CYP3A4DPP4
SCHEMBL18702244 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1ATMDPP4
SCHEMBL18307625 0.80 PIK3CA (0.34) MEN1KMT2ACYP3A4RIPK1
SCHEMBL28204836 0.79 CNR2 (0.45) CNR2MEN1KMT2AALDH1A1ATM
SCHEMBL1271474 0.78 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2
SCHEMBL1006759 0.78 TSHR (0.36) CNR2ALDH1A1ATMTSHRSMN1; SMN2
SCHEMBL189924 0.77 RECQL (0.55) SMN1; SMN2
SCHEMBL11923033 0.77 ALDH1A1 (0.41) CNR2MEN1KMT2AALDH1A1DRD2
SCHEMBL18701700 0.75 DPP4 (0.40) MEN1KMT2AALDH1A1CYP3A4DPP4
SCHEMBL9963903 0.75 HSP90AA1 (0.41) MEN1KMT2AALDH1A1CYP3A4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
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 CNR2 620/4885MEN1 4876/4885KMT2A 2884/4885

“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.