SCHEMBL4568068

SCHEMBL4568068

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
MAPT P10636 6/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP17A1 P05093 1/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.36
HTR1A P08908 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 0.91 GAA (0.42) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL4568361 0.89 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2MAPTHTT
SCHEMBL4568359 0.89 RAB9A (0.39) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL4568062 0.89 MEN1 (0.45) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4568054 0.86 SMN1; SMN2 (0.47) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4568360 0.86 MAPT (0.36) TAS1R3TAS1R1TAS1R2MAPTHTT
SCHEMBL4568061 0.86 NPC1 (0.46) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4568362 0.85 CYP17A1 (0.37) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4568049 0.84 RAB9A (0.46) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4568067 0.83 KMT2A (0.50) MAPTNPC1RAB9ASMN1; SMN2MEN1

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 TAS1R3 536/4885TAS1R1 224/4885TAS1R2 600/4885

“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.