SCHEMBL2732765

SCHEMBL2732765

CC(C)(C)c1c(C(C(=O)O)(C(=O)O)C(C)(C)C)ccc(C#N)c1Br

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.34
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
SLC22A12 Q96S37 3/20 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
SCHEMBL18625517 0.70 CXCR1 (0.33) CXCR1CXCR2SLC22A12
SCHEMBL16868788 0.65 KDM4E (0.31)
SCHEMBL3005779 0.64 KDM4E (0.35)
SCHEMBL2437573 0.62 AR (0.35) AR
SCHEMBL13525488 0.61 CA2 (0.40) ARSLC22A12
SCHEMBL18920568 0.61 XDH (0.38) CXCR1CXCR2SLC22A12
SCHEMBL3016189 0.60 TDP1 (0.35)
SCHEMBL4501194 0.60 AR (0.48) AR
SCHEMBL16868773 0.60 AR (0.45) AR
SCHEMBL31287998 0.60 ALDH1A1 (0.43) CXCR1CXCR2SLC22A12

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-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 AR 2433/4885CXCR1 926/4885CXCR2 2344/4885

“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.