SCHEMBL14744952

SCHEMBL14744952

CCc1c(-c2ccc3c(ccn3C)c2OCc2ccccc2)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 7/20 0.38
PKM P14618 3/20 0.38
GAA P10253 2/20 0.38
BRD4 O60885 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HSP90B1 P14625 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL14740920 0.92 BRD4 (0.37) ALDH1A1HSD17B10USP2TSHRHPGD
SCHEMBL14757919 0.87 KDM4E (0.32) ALDH1A1HSD17B10TSHRLMNAMAPT
SCHEMBL14741013 0.85 USP2 (0.33) ALDH1A1HSD17B10USP2HPGDLMNA
SCHEMBL16441022 0.83 MAPT (0.34) ALDH1A1HSD17B10USP2HPGDLMNA
SCHEMBL14744876 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10USP2TSHRHPGD
SCHEMBL14758322 0.80 CNR2 (0.33) ALDH1A1HSD17B10TSHRLMNAMAPT
SCHEMBL14741265 0.78 BRD4 (0.38) ALDH1A1HSD17B10USP2TSHRHPGD
SCHEMBL14745462 0.77 NR4A2 (0.45) ALDH1A1HSD17B10HPGDGAAKDM4E
SCHEMBL14744769 0.76 PTPN1 (0.31)
SCHEMBL16429061 0.75 BRD4 (0.41) ALDH1A1HSD17B10USP2TSHRHPGD

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 3792/4885HSD17B10 2349/4885USP2 2752/4885

“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.