SCHEMBL19968757

SCHEMBL19968757

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncccc1SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PTPRC P08575 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL17111477 0.76 TACR1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL20631816 0.73 SSTR4 (0.41) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL29679771 0.73 POLB (0.41) PKMALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL30759203 0.73 POLB (0.36) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL24666062 0.73 POLB (0.36) ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL28741053 0.73 L3MBTL1 (0.41) HTR2CSLC6A4L3MBTL1PKMALDH1A1
SCHEMBL28749714 0.71 MEN1 (0.48) L3MBTL1PKMALDH1A1KMT2AMEN1
SCHEMBL24058148 0.71 IDO1 (0.43) L3MBTL1PKMALDH1A1CYP2C9KMT2A
SCHEMBL13058362 0.70 L3MBTL1 (0.64) L3MBTL1PKMALDH1A1CYP2C9KMT2A
SCHEMBL19968774 0.70 TRPV4 (0.40) SMN1; SMN2GAAPOLBKDM4E

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-20180072673-A1 N-(pyridin-2-yl)pyridine-sulfonamide Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2018-03-15 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-20180072673-A1 N-(pyridin-2-yl)pyridine-sulfonamide Derivatives and their Use in the Treatment of Disease CFTR, P2RY1, P2RX5 HTR2C 1815/4885SLC6A4 1143/4885L3MBTL1 4771/4885

“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.