SCHEMBL2731327

SCHEMBL2731327

O=C(O)Cc1cccc(N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 3/20 0.69
NR1H2 P55055 1/20 0.59
GRM5 P41594 1/20 0.58
DUSP22 Q9NRW4 1/20 0.55
PPARA Q07869 2/20 0.52
PPARD Q03181 1/20 0.52
SCN2A Q99250 3/20 0.50
PIM3 Q86V86 1/20 0.50
HIPK4 Q8NE63 1/20 0.50
PARP1 P09874 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
AKR1B1 P15121 1/20 0.48
PLA2G10 O15496 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
ESR1 P03372 1/20 0.47

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
SCHEMBL6561206 0.82 PPARA (0.69) NR1H3DUSP22PPARAPPARDSCN2A
SCHEMBL9481335 0.82 NR1H3 (0.75) NR1H3NR1H2GRM5SCN2APARP1
SCHEMBL31119238 0.81 GRM5 (0.58) NR1H3GRM5PPARAPPARDSCN2A
SCHEMBL9454327 0.79 NR1H3 (0.71) NR1H3NR1H2GRM5SCN2APARP1
SCHEMBL15295106 0.79 NR1H3 (0.71) NR1H3NR1H2GRM5SCN2APARP1
SCHEMBL31752531 0.78 KMT2A (0.68) CA12CA9AKR1B1
SCHEMBL28949564 0.78 NR1H3 (0.65) NR1H3NR1H2GRM5SCN2APARP1
SCHEMBL725608 0.77 NR1H3 (0.67) NR1H3NR1H2GRM5SCN2APIM3
SCHEMBL15618497 0.77 NR1H3 (0.72) NR1H3NR1H2GRM5PPARAPPARD
SCHEMBL13460685 0.76 NR1H3 (0.67) NR1H3NR1H2GRM5SCN2APIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666666-A Preparation method of alkyl phenylacetic acid derivative 浙江九洲药业股份有限公司 2024-09-20 CN disclosed
WO-2024187495-A1 PREPARATION METHOD FOR ALKYLPHENYLACETIC ACID DERIVATIVE 浙江九洲药业股份有限公司 2024-09-19 WO disclosed
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
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP disclosed
EP-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 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 NR1H3 1843/4885NR1H2 1528/4885GRM5 2309/4885

“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.