SCHEMBL4568024

SCHEMBL4568024

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
F10 P00742 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1I2 O75469 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MTNR1B P49286 1/20 0.36
POLB P06746 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
SCHEMBL4568031 0.91 NPC1 (0.39) ABCB1KMT2ANPSR1MEN1HTT
SCHEMBL4568371 0.89 TAS1R3 (0.39) ABCB1KMT2ANPSR1MEN1ALDH1A1
SCHEMBL7963161 0.87 KMT2A (0.40) KMT2ANPSR1MEN1ALDH1A1F10
SCHEMBL4568019 0.87 MTNR1B (0.40) ABCB1KMT2ANPSR1MEN1HTT
SCHEMBL4568014 0.86 SMN1; SMN2 (0.41) KMT2ANPSR1MEN1ALDH1A1F10
SCHEMBL5241843 0.85 AKR1C3 (0.48) KMT2ANPSR1MEN1ALDH1A1F10
SCHEMBL4568377 0.85 KMT2A (0.39) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL14628609 0.83 KMT2A (0.41) KMT2ANPSR1MEN1ALDH1A1F10
SCHEMBL17233418 0.83 KMT2A (0.41) ABCB1KMT2ANPSR1ALDH1A1F10
SCHEMBL4568373 0.83 KMT2A (0.44) KMT2ANPSR1MEN1ALDH1A1F10

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 4 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
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 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 ABCB1 1681/4885KMT2A 2056/4885NPSR1 27/4885

“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.