SCHEMBL2539937

SCHEMBL2539937

[CH2]Cc1cccc(OC(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.50
DAO P14920 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.44
DRD1 P21728 1/20 0.42
NLRP3 Q96P20 1/20 0.41
MPO P05164 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
GRM4 Q14833 2/20 0.40

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
SCHEMBL17994028 0.81 MEP1B (0.50) MEP1BDAOMRGPRX4DRD1NLRP3
SCHEMBL29793524 0.81 MEP1B (0.50) MEP1BDAOMRGPRX4DRD1MPO
SCHEMBL30705292 0.81 MEP1B (0.57) MEP1BDAOMRGPRX4DRD1NLRP3
SCHEMBL394184 0.81 MEP1B (0.57) MEP1BDAOMRGPRX4DRD1NLRP3
SCHEMBL10913301 0.81 MEP1B (0.50) MEP1BDAOMRGPRX4DRD1NLRP3
SCHEMBL1908557 0.81 MEP1B (0.50) MEP1BDAOMRGPRX4DRD1HCRTR1
SCHEMBL297093 0.81 MEP1B (0.50) MEP1BDAOMRGPRX4DRD1MPO
SCHEMBL1776057 0.81 MEP1B (0.54) MEP1BDAOMRGPRX4DRD1NLRP3
SCHEMBL1776056 0.81 MEP1B (0.54) MEP1BDAOMRGPRX4DRD1NLRP3
SCHEMBL6416546 0.81 DHFR (0.48) MEN1KMT2AROCK2ROCK1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US disclosed
EP-1000024-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP disclosed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP disclosed
WO-1999006365-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-02-11 WO disclosed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 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 (4 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 MEP1B 2132/4885DAO 403/4885MRGPRX4 80/4885
US-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 MEP1B 1012/4885DAO 27/4885MRGPRX4 2926/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 MEP1B 2429/4885DAO 532/4885MRGPRX4 87/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT MEP1B 1156/4885DAO 257/4885MRGPRX4 4129/4885

“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.