SCHEMBL18883290

SCHEMBL18883290

CN(c1nccs1)S(=O)(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GLA P06280 2/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
GBA1 P04062 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM4 Q14833 1/20 0.38
ABCB1 P08183 1/20 0.38
P4HTM Q9NXG6 5/20 0.37
NR1H2 P55055 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL11894090 0.83 KMT2A (0.54) MEN1KMT2AGLAALDH1A1SMN1; SMN2
SCHEMBL29595044 0.77 P4HTM (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL19249698 0.77 P4HTM (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL12522874 0.76 MAPT (0.53) MEN1KMT2AGLAALDH1A1SMN1; SMN2
SCHEMBL11894600 0.74 KMT2A (0.51) MEN1KMT2AGLAALDH1A1SMN1; SMN2
SCHEMBL11951601 0.73 FFAR2 (0.45) MEN1KMT2AGLAALDH1A1SMN1; SMN2
SCHEMBL3154173 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL8293872 0.69 GRM4 (0.52) MEN1KMT2AGLAALDH1A1SMN1; SMN2
SCHEMBL8361063 0.69 CA12 (0.48) MEN1KMT2AGLAALDH1A1SMN1; SMN2
SCHEMBL4326059 0.69 PTGS2 (0.55) MEN1KMT2AALDH1A1MAPK1LMNA

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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 MEN1 4050/4885KMT2A 2577/4885GLA 4796/4885

“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.