SCHEMBL14744799

SCHEMBL14744799

CCc1c(-c2ccc3c(c2)cc(C)n3C)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 5/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 5/20 0.39
ALOX15 P16050 3/20 0.39
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 7/20 0.37
RECQL P46063 2/20 0.37
HTT P42858 2/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL14741294 0.89 MEN1 (0.40) KDM4ECYP1A2CYP3A4CYP2C19GAA
SCHEMBL14745645 0.88 MAPT (0.39) KDM4EGAAMAPTLMNAKMT2A
SCHEMBL14744739 0.85 CD274 (0.37) KDM4EGAAMAPTLMNA
SCHEMBL14744821 0.83 MAPT (0.39) KDM4ECYP1A2CYP3A4CYP2C19GAA
SCHEMBL14745133 0.82 MTNR1A (0.39) GAAMAPTLMNA
SCHEMBL14757846 0.82 ALDH1A1 (0.42) KDM4EGAAMAPTLMNAHPGD
SCHEMBL14744849 0.81 GAA (0.34) GAAMAPTLMNA
SCHEMBL14746072 0.81 KDM4E (0.37) KDM4EGAAMAPTLMNA
SCHEMBL14757939 0.81 KDM4E (0.42) KDM4ECYP1A2CYP3A4CYP2C19GAA
SCHEMBL14745425 0.80 USP2 (0.34) GAAMAPTLMNA

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 KDM4E 4305/4885CYP1A2 4399/4885CYP3A4 4170/4885

“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.