SCHEMBL4955482

SCHEMBL4955482

NCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.45
KIF11 P52732 2/20 0.44
KCNH2 Q12809 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
OPRK1 P41145 2/20 0.38
ADRA1A P35348 1/20 0.38
KCNA3 P22001 2/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2D6 P10635 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL15761354 0.92 KIF11 (0.39) KCNN4KIF11KCNH2HTR2AHTR2C
SCHEMBL2406465 0.86 KCNN4 (0.42) KCNN4KIF11KCNH2HTR2AHTR2C
SCHEMBL18847229 0.86 KIF11 (0.43) KCNN4KIF11CYP3A4CYP2C9HTT
SCHEMBL18848228 0.85 KIF11 (0.45) KCNN4KIF11CYP3A4CYP2C9HTT
SCHEMBL20341164 0.85 KIF11 (0.45) KCNN4KIF11CYP3A4CYP2C9HTT
SCHEMBL22828015 0.85 KIF11 (0.45) KCNN4KIF11CYP3A4CYP2C9HTT
SCHEMBL18558846 0.85 KIF11 (0.45) KCNN4KIF11CYP3A4CYP2C9HTT
SCHEMBL21385478 0.85 KIF11 (0.45) KCNN4KIF11CYP3A4CYP2C9HTT
SCHEMBL3950448 0.84 KIF11 (0.47) KCNN4KIF11KCNH2CYP3A4CYP2C9
SCHEMBL26811331 0.83 KIF11 (0.40) KCNN4KIF11KCNH2HTR2AHTR2C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932853-A1 Novel depsipeptides and process for preparing same Cubist Pharmaceutical Inc. (US) 2008-06-18 EP disclosed
US-20080119395-A1 Novel Depsipeptides and Process for Preparing Same CUBIST PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
EP-1814588-A2 ANTIINFECTIVE LIPOPEPTIDES Cubist Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
WO-2006110185-A2 ANTIINFECTIVE LIPOPEPTIDES CUBIST PHARMACEUTICALS, INC. (US) 2006-10-19 WO disclosed
US-20060194714-A1 Novel depsipeptides and process for preparing same CUBIST PHARMACEUTICALS, INC. 2006-08-31 US disclosed
EP-1423414-A4 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARM INC (US) 2005-11-30 EP disclosed
EP-1423414-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME Cubist Pharmaceuticals, Inc. (US) 2004-06-02 EP disclosed
US-20030083240-A1 Novel depsipeptides and process for preparing same CUBIST PHARMACEUTICALS, INC. 2003-05-01 US disclosed
WO-2003014147-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARMACEUTICALS, INC. (US) 2003-02-20 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 (4 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-20030083240-A1 Novel depsipeptides and process for preparing same VIP, DNPEP, PREP KCNN4 4605/4885KIF11 1722/4885KCNH2 4263/4885
US-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP KCNN4 4642/4885KIF11 4332/4885KCNH2 4383/4885
US-20060194714-A1 Novel depsipeptides and process for preparing same VIP, DNPEP, PREP KCNN4 4605/4885KIF11 1722/4885KCNH2 4263/4885
US-20080119395-A1 Novel Depsipeptides and Process for Preparing Same VIP, DNPEP, PREP KCNN4 4605/4885KIF11 1722/4885KCNH2 4263/4885

“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.