SCHEMBL20191126

SCHEMBL20191126

CC[C](C)OCCNS(=O)(=O)c1cccc(OCC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 7/20 0.52
MTNR1A P48039 1/20 0.45
ALDH1A1 P00352 2/20 0.42
NAMPT P43490 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KAT6A Q92794 1/20 0.39

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
SCHEMBL20189787 0.78 DUT (0.61) DUTMTNR1AALDH1A1NAMPTHTR1A
SCHEMBL1409637 0.77 DUT (0.65) DUTALDH1A1NPSR1HTR1ADRD2
SCHEMBL27990764 0.76 TLR4 (0.46) DUTMTNR1ANAMPTACACBACACA
SCHEMBL20189790 0.76 DUT (0.61) DUTALDH1A1HTR1ADRD2HTR7
SCHEMBL21690361 0.76 DUT (0.64) DUTMTNR1AALDH1A1HTR1ADRD2
SCHEMBL21522296 0.76 DUT (0.58) DUTALDH1A1NPSR1
SCHEMBL20188167 0.75 DUT (0.57) DUTMTNR1AALDH1A1NAMPTHTR1A
SCHEMBL21536109 0.73 DUT (0.46) DUTMTNR1AKAT6A
SCHEMBL21536107 0.73 DUT (0.46) DUTMTNR1AALDH1A1KAT6A
SCHEMBL21536747 0.73 DUT (0.54) DUTMTNR1AALDH1A1NPSR1

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-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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 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 (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 DUT 3/4885MTNR1A 4500/4885ALDH1A1 2924/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT DUT 3/4885MTNR1A 4500/4885ALDH1A1 2924/4885

“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.