SCHEMBL14744890

SCHEMBL14744890

CCc1cc(C(=O)O)c(OC)nc1-c1ccc2c(c1)cc(C1CCCN1C(=O)OC(C)(C)C)n2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.35
TSHR P16473 6/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
LMNA P02545 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
JAK2 O60674 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 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
SCHEMBL14757734 0.93 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14745577 0.93 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14745575 0.93 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14747046 0.79 PKM (0.36) ALDH1A1KDM4EHPGDMAPTJAK2
SCHEMBL14745266 0.74 USP30 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14745448 0.74 USP30 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14745267 0.74 USP30 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14757814 0.69 USP30 (0.42) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL12263806 0.68 USP30 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14745044 0.67 KMT2A (0.41) ALDH1A1TSHRMEN1KMT2AKDM4E

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 ALDH1A1 3792/4885TSHR 4837/4885MEN1 4630/4885

“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.