SCHEMBL287086

SCHEMBL287086

Cc1ccc(CO)c(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
SHBG P04278 1/20 0.32
NCEH1 Q6PIU2 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL127910 0.82 NCEH1 (0.38) PDCD1CD274SHBGNCEH1GABRA1
SCHEMBL10557023 0.80 SHBG (0.39) PDCD1CD274SHBG
SCHEMBL19948999 0.78 PDCD1 (0.37) PDCD1CD274
SCHEMBL26110910 0.78 SHBG (0.31) SHBG
SCHEMBL358606 0.78 PDCD1 (0.43) PDCD1CD274SHBG
SCHEMBL21650283 0.77 ALDH1A1 (0.37) GABRA1GABRB2
SCHEMBL13199168 0.77 PDCD1 (0.50) PDCD1CD274SHBG
Phosphine SCHEMBL3840466 0.76 PDCD1 (0.42) PDCD1CD274SHBG
Ammonia Solution, Strong SCHEMBL439692 0.76 PDCD1 (0.42) PDCD1CD274SHBG
SCHEMBL24122823 0.74 PDCD1 (0.41) PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8722656-B2 Cephalosporins useful as antibacterial agents ZOETIS LLC (US) 2014-05-13 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2705044-A1 NOVEL CEPHALOSPORINS USEFUL AS ANTIBACTERIAL AGENTS ZOETIS LLC (US) 2014-03-12 EP disclosed
WO-2012150520-A1 NOVEL CEPHALOSPORINS USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-11-08 WO disclosed
US-20120283237-A1 NOVEL CEPHALOSPORINS USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-11-08 US disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US 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 (3 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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 PDCD1 1989/4885CD274 2052/4885SHBG 3930/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 PDCD1 1989/4885CD274 2052/4885SHBG 3930/4885
US-20120283237-A1 NOVEL CEPHALOSPORINS USEFUL AS ANTIBACTERIAL AGENTS CIAPIN1, CLSPN, MRPL21 PDCD1 4028/4885CD274 4689/4885SHBG 3627/4885

“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.