SCHEMBL4568014

SCHEMBL4568014

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
F10 P00742 1/20 0.39
MEN1 O00255 2/20 0.39
NR1I2 O75469 1/20 0.38
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
EPHX2 P34913 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 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
SCHEMBL4568373 0.89 KMT2A (0.44) SMN1; SMN2KMT2ANPSR1ALDH1A1F10
SCHEMBL7963161 0.88 KMT2A (0.40) SMN1; SMN2KMT2ANPSR1ALDH1A1F10
SCHEMBL4568377 0.86 KMT2A (0.39) SMN1; SMN2KMT2ANPSR1ALDH1A1F10
SCHEMBL5241843 0.86 AKR1C3 (0.48) SMN1; SMN2KMT2ANPSR1ALDH1A1F10
SCHEMBL4568024 0.86 ABCB1 (0.39) SMN1; SMN2KMT2ANPSR1ALDH1A1F10
SCHEMBL4568021 0.85 CYP1A2 (0.43) SMN1; SMN2NPSR1ALDH1A1TP53MAPT
SCHEMBL14628609 0.84 KMT2A (0.41) SMN1; SMN2KMT2ANPSR1ALDH1A1F10
SCHEMBL17233418 0.84 KMT2A (0.41) SMN1; SMN2KMT2ANPSR1ALDH1A1F10
SCHEMBL4568016 0.83 IDO1 (0.44) SMN1; SMN2KMT2ANPSR1ALDH1A1MEN1
SCHEMBL4568371 0.83 TAS1R3 (0.39) SMN1; SMN2KMT2ANPSR1ALDH1A1F10

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 SMN1; SMN2 4661/4885KMT2A 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.