SCHEMBL14745668

SCHEMBL14745668

Cn1c(CO[Si](C)(C)C(C)(C)C)cc2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.40
KDM4E B2RXH2 4/20 0.37
MCL1 Q07820 1/20 0.37
SRD5A2 P31213 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
LGALS8 O00214 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL14745543 0.88 SIGMAR1 (0.34) HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL14745203 0.86 HSD17B3 (0.37) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL14744689 0.84 MLYCD (0.34) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL14744790 0.82 IDO1 (0.39) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL14745193 0.81 MCL1 (0.41) MCL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14744974 0.79
SCHEMBL14744975 0.79
SCHEMBL16441004 0.76 KDM4E (0.46) HCAR3KDM4EMCL1HSD17B10ALDH1A1
SCHEMBL14745877 0.75 HPGD (0.35) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL18109897 0.73 GPBAR1 (0.49) KDM4ELGALS8NPC1RAB9A

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
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP HCAR3 2257/4885KDM4E 4305/4885MCL1 305/4885

“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.