SCHEMBL4568055

SCHEMBL4568055

COc1ccc(CC(=O)c2ccoc2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
F10 P00742 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8761782 0.92 ALDH1A1 (0.37) KMT2AMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4568012 0.84 KMT2A (0.45) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL4568052 0.84 NPC1 (0.46) KMT2AMAPTMEN1ALDH1A1TSHR
SCHEMBL4568067 0.84 KMT2A (0.50) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL4568054 0.83 SMN1; SMN2 (0.47) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL4568062 0.83 MEN1 (0.45) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL4568382 0.82 MEN1 (0.38) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL4568362 0.82 CYP17A1 (0.37) KMT2AMAPTMEN1F10TP53
SCHEMBL4568051 0.82 KCNK3 (0.45) KMT2ATSHRMAPK1HSD17B10TP53
SCHEMBL4568358 0.81 GAA (0.42) KMT2AMAPTMEN1F10TP53

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 KMT2A 2056/4885MAPT 3199/4885CYP1A2 1792/4885

“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.