SCHEMBL14744760

SCHEMBL14744760

CCc1c(-c2ccc3c(ccn3CC3OCCO3)c2)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
GAA P10253 5/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.32
THRB P10828 1/20 0.32
PLA2G4A P47712 1/20 0.31
NTSR1 P30989 1/20 0.31
WNT3A P56704 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
USP2 O75604 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14745454 0.90 NTSR1 (0.32) PLA2G4ANTSR1PPARG
SCHEMBL14745133 0.87 MTNR1A (0.39) MAPTGAAMTNR1AMTNR1BLMNA
SCHEMBL14758101 0.83 MTNR1A (0.32) MAPTGAARXFP1MTNR1AMTNR1B
SCHEMBL14745623 0.83 P2RX3 (0.34) MAPTGAARXFP1MTNR1AMTNR1B
SCHEMBL14744739 0.82 CD274 (0.37) MAPTGAAMTNR1AMTNR1BLMNA
SCHEMBL14744799 0.78 KDM4E (0.40) MAPTGAALMNATHRBKDM4E
SCHEMBL14746072 0.77 KDM4E (0.37) MAPTGAAMTNR1AMTNR1BLMNA
SCHEMBL14745804 0.77 TUBB4A (0.36) MTNR1AMTNR1BNTSR1PPARG
SCHEMBL14744627 0.77 NTSR1 (0.33) GAAPOLBPLA2G4ANTSR1KDM4E
SCHEMBL14745645 0.77 MAPT (0.39) MAPTGAARXFP1LMNATNKS2

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 MAPT 4110/4885GAA 91/4885RXFP1 4498/4885

“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.