SCHEMBL4568362

SCHEMBL4568362

COc1ccc(CC(=O)c2cc(F)c(F)c(F)c2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.36
F10 P00742 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 2/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4568358 0.90 GAA (0.42) CYP17A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568054 0.88 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4568359 0.86 RAB9A (0.39) CYP17A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568361 0.86 TAS1R3 (0.41) CYP17A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568068 0.85 TAS1R3 (0.50) CYP17A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568360 0.85 MAPT (0.36) ANO1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568012 0.85 KMT2A (0.45) ANO1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568049 0.85 RAB9A (0.46) ANO1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568067 0.84 KMT2A (0.50) ANO1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568052 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTTP53

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP17A1 1315/4885ANO1 1346/4885NPC1 1150/4885

“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.