SCHEMBL286505

SCHEMBL286505

O=C(O)CCc1cccc(F)c1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.45
FFAR4 Q5NUL3 7/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
PARP1 P09874 1/20 0.43
KEAP1 Q14145 1/20 0.42
MPO P05164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSPO P30536 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL31033368 1.00 FFAR1 (0.45) FFAR1FFAR4MEN1ALDH1A1KMT2A
SCHEMBL1337385 0.81 FFAR4 (0.47) FFAR1FFAR4MEN1ALDH1A1KMT2A
SCHEMBL25679309 0.81 CXCL8 (0.53) MEN1ALDH1A1KMT2AKEAP1
SCHEMBL30558299 0.81 CXCL8 (0.53) MEN1ALDH1A1KMT2AKEAP1
SCHEMBL4641301 0.81 FFAR1 (0.49) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL246473 0.81 MEN1 (0.59) FFAR1FFAR4MEN1ALDH1A1KMT2A
SCHEMBL29444401 0.81 MEN1 (0.59) FFAR1FFAR4MEN1ALDH1A1KMT2A
SCHEMBL31674242 0.80 FFAR1 (0.47) FFAR1FFAR4KEAP1NPSR1
SCHEMBL9498776 0.80 GABRA1 (0.63) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL27996630 0.80 ALB (0.48) FFAR1FFAR4MEN1ALDH1A1KMT2A

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
WO-2024175905-A1 DIMER COMPOUNDS Kesmalea Therapeutics Limited (GB) 2024-08-29 WO disclosed
WO-2021027943-A1 PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-02-18 WO disclosed
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
CN-102459216-B Inhibitors of renal outer medullary potassium channels MERCK SHARP & DO 2015-01-28 CN disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
CN-102459216-A Inhibitors of renal outer medullary potassium channels MERCK SHARP & DO 2012-05-16 CN 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 (2 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 FFAR1 1982/4885FFAR4 3444/4885MEN1 285/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 FFAR1 1982/4885FFAR4 3444/4885MEN1 285/4885

“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.