SCHEMBL25487581

SCHEMBL25487581

COc1ncc(NC(=O)c2cnn(C)c2C)cc1S(=O)(=O)Nc1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.39
PKM P14618 2/20 0.38
MALT1 Q9UDY8 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNK3 O14649 1/20 0.38
POLB P06746 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
NR3C1 P04150 1/20 0.37
KDR P35968 1/20 0.37
BRAF P15056 3/20 0.37
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL23840409 0.92 MALT1 (0.42) NPC1RAB9ASMN1; SMN2PIK3C3MALT1
SCHEMBL23840445 0.92 PIK3C3 (0.38) NPC1RAB9APIK3C3MALT1KMT2A
SCHEMBL23840365 0.89 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2PIK3C3MALT1
SCHEMBL23840355 0.88 MALT1 (0.47) PIK3C3MALT1BRAF
SCHEMBL23840564 0.88 PIK3C3 (0.38) NPC1RAB9APIK3C3MALT1KMT2A
SCHEMBL25485494 0.86 KCNK3 (0.52) NPC1RAB9ASMN1; SMN2KMT2AKCNK3
SCHEMBL23840341 0.85 KMT2A (0.46) NPC1RAB9ASMN1; SMN2PIK3C3KMT2A
SCHEMBL23840544 0.85 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2PIK3C3PKM
SCHEMBL23840465 0.84 NAMPT (0.49) NPC1RAB9ASMN1; SMN2PIK3C3KMT2A
SCHEMBL23840623 0.83 KMT2A (0.44) SMN1; SMN2PIK3C3KMT2AKCNK3POLB

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-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 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-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D NPC1 1886/4885RAB9A 455/4885SMN1; SMN2 428/4885

“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.