SCHEMBL14720247

SCHEMBL14720247

C#CCCC(C(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.33
IGF1R P08069 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
L3MBTL1 Q9Y468 4/20 0.32
MAPK1 P28482 3/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CPB2 Q96IY4 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
SCHEMBL27172003 0.85 CA12 (0.33) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL20184104 0.83 CYP1A2 (0.35) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL16412190 0.79 USP2 (0.47) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2439297 0.77 HTT (0.40) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL22445803 0.77 MEN1 (0.32) TDP1MEN1KMT2AMAPTMAPK1
SCHEMBL9659247 0.75 TDP1 (0.42) TDP1MEN1KMT2AMAPTCRHBP
SCHEMBL25634900 0.75 PTPN1 (0.40) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL27416647 0.75 MEN1 (0.36) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL28301981 0.74 CYP1A2 (0.40) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11650972 0.74 KMT2A (0.38) TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744499-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
US-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
EP-2744499-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-06-25 EP disclosed
WO-2013028474-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-02-28 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-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TDP1 3658/4885MEN1 319/4885KMT2A 1807/4885

“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.