SCHEMBL4568384

SCHEMBL4568384

COc1cc(CC(=O)c2ccsc2)c(NC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR1A P08908 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPK8 P45983 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PPARG P37231 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9101213 0.87 KMT2A (0.49) MEN1KMT2AHTR1ATDP1ALDH1A1
SCHEMBL4568376 0.85 MEN1 (0.43) MEN1KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4568370 0.84 SMN1; SMN2 (0.38) MEN1KMT2ATDP1MAPK8ALDH1A1
SCHEMBL8761820 0.83 USP2 (0.38) MEN1KMT2AMAPK8ALDH1A1
SCHEMBL4568025 0.83 KMT2A (0.38) MEN1KMT2AMAPK8GAA
SCHEMBL9105339 0.77 KMT2A (0.45) MEN1KMT2ATDP1ALDH1A1GAA
SCHEMBL6117616 0.74 KMT2A (0.38) MEN1KMT2AHTR1ATDP1SMN1; SMN2
SCHEMBL8761774 0.74 KMT2A (0.42) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL4568354 0.73 MAPT (0.49) MEN1KMT2AAAK1ALDH1A1GAA
SCHEMBL15998685 0.72 PPARG (0.35) MTNR1AMTNR1BPPARGAAK1ALDH1A1

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 MEN1 2993/4885KMT2A 2056/4885HTR1A 34/4885

“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.