SCHEMBL3563432

SCHEMBL3563432

CN1CCN(S(=O)(=O)c2ccc([C@@H](CC3CCCC3)C(=O)Nc3nc4ccc(Br)cc4s3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.70
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL2655726 1.00 GCK (0.70) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL3562541 0.92 GCK (0.71) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2655003 0.92 GCK (0.71) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2654734 0.90 GCK (0.69) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2654741 0.90 GCK (0.69) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2655854 0.89 GCK (0.72) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL3566833 0.89 GCK (0.72) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2656073 0.87 GCK (0.67) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL3562913 0.87 GCK (0.67) GCKALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL3560511 0.87 GCK (0.67) GCKALDH1A1HSD17B10SMN1; SMN2NPC1

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-7795257-B2 Organic compounds NOVARTIS AG (CH) 2010-09-14 US claimed
US-20080318948-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-25 US claimed

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-20080318948-A1 Organic Compounds GCK, GCKR, SLC2A2 GCK 1/4885ALDH1A1 236/4885HSD17B10 250/4885

“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.