SCHEMBL4568375

SCHEMBL4568375

COc1ccc(CC(=O)C2CC2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
BRAF P15056 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
STS P08842 1/20 0.39
CACNA1B Q00975 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ABL1 P00519 1/20 0.38
HPGD P15428 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 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
SCHEMBL4568372 0.95 MEN1 (0.43) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4568374 0.94 MEN1 (0.45) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8085605 0.91 ALDH1A1 (0.42) EPHX2ALDH1A1MAPTMAPK1BRAF
SCHEMBL5241843 0.84 AKR1C3 (0.48) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL7963161 0.84 KMT2A (0.40) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4568014 0.83 SMN1; SMN2 (0.41) EPHX2ALDH1A1MAPTMAPK1MEN1
SCHEMBL4568024 0.82 ABCB1 (0.39) ALDH1A1MAPTMEN1KMT2AMTNR1B
SCHEMBL4568377 0.82 KMT2A (0.39) ALDH1A1MAPTMAPK1KMT2AMMP8
SCHEMBL14628609 0.80 KMT2A (0.41) EPHX2ALDH1A1MAPTMAPK1MEN1
SCHEMBL17233418 0.80 KMT2A (0.41) ALDH1A1MAPTKMT2ANPC1RAB9A

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
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 EPHX2 2468/4885ALDH1A1 422/4885MAPT 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.