SCHEMBL14744922

SCHEMBL14744922

CCc1c(-c2ccc(C3=CCN(CC)CC3)cc2)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.38
USP2 O75604 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTR1F P30939 1/20 0.35
CTSC P53634 1/20 0.34
HTR6 P50406 1/20 0.34
NAMPT P43490 1/20 0.34
CASP1 P29466 1/20 0.34
HBB P68871 1/20 0.34
HTR1A P08908 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
SCHEMBL14741176 0.89 LMNA (0.39) PARP1PPARGPPARAMAPTLMNA
SCHEMBL14745380 0.81 QDPR (0.41) USP2MAPTLMNAGAAHTR6
SCHEMBL14745449 0.79 GAA (0.38) USP2MAPTLMNAGAAKDM4E
SCHEMBL14745803 0.79 DCTPP1 (0.40) PARP1USP2MAPTLMNAGAA
SCHEMBL14741309 0.78 QDPR (0.46) PARP1
SCHEMBL16568280 0.75 TLR9 (0.40) PARP1MAPTLMNAGAA
SCHEMBL16428749 0.74 NOTUM (0.39) USP2MAPTLMNAGAA
SCHEMBL14745164 0.73 KCNH2 (0.37) PARP1USP2MAPTLMNAGAA
SCHEMBL14745425 0.72 USP2 (0.34) USP2MAPTLMNAGAA
SCHEMBL14745133 0.71 MTNR1A (0.39) USP2MAPTLMNAGAA

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-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP PARP1 2143/4885USP2 2752/4885PPARG 2048/4885

“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.