SCHEMBL4568359

SCHEMBL4568359

COc1ccc(CC(=O)c2ccc(F)c(C)c2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 2/20 0.38
CYP17A1 P05093 1/20 0.38
LMNA P02545 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
TP53 P04637 1/20 0.37
F10 P00742 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL4568358 0.92 GAA (0.42) RAB9ANPC1MAPTSMN1; SMN2EPHX2
SCHEMBL4568361 0.90 TAS1R3 (0.41) RAB9ANPC1MAPTSMN1; SMN2EPHX2
SCHEMBL4568068 0.89 TAS1R3 (0.50) RAB9ANPC1MAPTSMN1; SMN2CYP17A1
SCHEMBL4568054 0.87 SMN1; SMN2 (0.47) RAB9ANPC1MAPTSMN1; SMN2EPHX2
SCHEMBL4568362 0.86 CYP17A1 (0.37) RAB9ANPC1MAPTSMN1; SMN2EPHX2
SCHEMBL4568052 0.86 NPC1 (0.46) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL4568062 0.85 MEN1 (0.45) NPC1MAPTSMN1; SMN2LMNATP53
SCHEMBL4568049 0.84 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL4568051 0.84 KCNK3 (0.45) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL4568067 0.84 KMT2A (0.50) RAB9ANPC1MAPTSMN1; SMN2TP53

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 RAB9A 1646/4885NPC1 1150/4885MAPT 3199/4885

“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.