SCHEMBL14745458

SCHEMBL14745458

CCCC(=O)c1ccc2c(c1)cc1n2CCN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14745406 0.85 PDE4D (0.49) SIGMAR1ALDH1A1MAPTHPGDRAB9A
SCHEMBL23725782 0.76 HTR2A (0.50) SIGMAR1
SCHEMBL26683906 0.76 SIGMAR1 (0.47) SIGMAR1
SCHEMBL4052097 0.75 HTR2A (0.53) SIGMAR1ALDH1A1HPGD
SCHEMBL5380065 0.74 SIGMAR1 (0.64) SIGMAR1
SCHEMBL20122657 0.73 SIGMAR1 (0.72) SIGMAR1
SCHEMBL16440996 0.71 HPGD (0.46) ALDH1A1MAPTHPGDRAB9A
SCHEMBL23726444 0.70 SIGMAR1 (0.42) SIGMAR1
SCHEMBL26683837 0.68 SIGMAR1 (0.46) SIGMAR1
SCHEMBL26958041 0.68 HSD17B3 (0.61) ALDH1A1MAPTHPGDRAB9A

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 SIGMAR1 868/4885ALDH1A1 3792/4885MAPT 4110/4885

“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.