SCHEMBL4568060

SCHEMBL4568060

COc1ccc(CC(=O)c2ccoc2C)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.41
PKM P14618 4/20 0.41
HPGD P15428 3/20 0.41
RECQL P46063 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL4568050 0.83 NPC1 (0.50) HSD17B10TSHRNPC1RAB9AHPGD
SCHEMBL4568052 0.81 NPC1 (0.46) SMN1; SMN2HSD17B10TSHRNPC1RAB9A
SCHEMBL4568064 0.80 DGAT2 (0.39) SMN1; SMN2TSHRPOLBHPGDALDH1A1
SCHEMBL4568058 0.80 RAB9A (0.44) SMN1; SMN2HSD17B10TSHRPOLBNPC1
SCHEMBL4568063 0.80 MAPT (0.45) SMN1; SMN2TSHRPOLBNPC1RAB9A
SCHEMBL4568057 0.80 KMT2A (0.44) POLBRAB9AALDH1A1MAPTMEN1
SCHEMBL4568055 0.80 KMT2A (0.37) SMN1; SMN2HSD17B10TSHRPOLBNPC1
SCHEMBL7963161 0.80 KMT2A (0.40) SMN1; SMN2HSD17B10TSHRPOLBHPGD
SCHEMBL4568012 0.79 KMT2A (0.45) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL4568051 0.79 KCNK3 (0.45) SMN1; SMN2HSD17B10TSHRPOLBNPC1

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 4661/4885HSD17B10 1799/4885TSHR 279/4885

“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.