SCHEMBL5893116

SCHEMBL5893116

CC(=C(NC(=O)OCc1ccccc1)C(=O)O)c1ccc(Br)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MMP12 P39900 1/20 0.38
BACE1 P56817 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3919885 0.78 KMT2A (0.58) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL4390326 0.75 POLB (0.47) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL5893137 0.75 NPC1 (0.44) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL5893133 0.75 NPC1 (0.44) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL5893720 0.75 NPC1 (0.44) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL4846126 0.74 LRRK2 (0.53) POLBALDH1A1HPGDLMNAHTT
SCHEMBL4846135 0.74 LRRK2 (0.53) POLBALDH1A1HPGDLMNAHTT
SCHEMBL3050407 0.73 MRGPRX4 (0.43) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL3050406 0.73 MRGPRX4 (0.43) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL15896675 0.71 MAPT (0.44) RAB9ANPC1MEN1KMT2AALDH1A1

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-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 US disclosed
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 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 (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-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A RAB9A 2842/4885NPC1 3745/4885MEN1 3751/4885

“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.