SCHEMBL4568063

SCHEMBL4568063

COc1ccc(CC(=O)c2ccc(C)o2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL4568052 0.81 NPC1 (0.46) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4568064 0.81 DGAT2 (0.39) MAPTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL7963161 0.81 KMT2A (0.40) MAPTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL4568012 0.80 KMT2A (0.45) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4568060 0.80 SMN1; SMN2 (0.42) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4568050 0.80 NPC1 (0.50) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL4568051 0.80 KCNK3 (0.45) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL4568014 0.79 SMN1; SMN2 (0.41) MAPTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL4568067 0.79 KMT2A (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17233418 0.79 KMT2A (0.41) MAPTSMN1; SMN2NPC1RAB9AHPGD

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 MAPT 3199/4885SMN1; SMN2 4661/4885NPC1 1150/4885

“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.