SCHEMBL2586006

SCHEMBL2586006

COC(=O)C(N)Cc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
AKR1B1 P15121 1/20 0.43
IDO1 P14902 2/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
KIF11 P52732 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL2502292 1.00 NLRP3 (0.45) NLRP3KMT2AMEN1AKR1B1IDO1
SCHEMBL29478100 1.00 NLRP3 (0.45) NLRP3KMT2AMEN1AKR1B1IDO1
SCHEMBL22113081 1.00 NLRP3 (0.45) NLRP3KMT2AMEN1AKR1B1IDO1
Hydrochloric Acid SCHEMBL28551850 0.98 NLRP3 (0.44) NLRP3KMT2AMEN1AKR1B1IDO1
Hydrochloric Acid SCHEMBL3999288 0.98 NLRP3 (0.44) NLRP3KMT2AMEN1AKR1B1IDO1
Hydrochloric Acid SCHEMBL30655761 0.98 NLRP3 (0.44) NLRP3KMT2AMEN1AKR1B1IDO1
SCHEMBL30765055 0.84 MEP1B (0.43) NLRP3KMT2AMEN1NOS3NOS1
SCHEMBL10064650 0.84 MEP1B (0.43) NLRP3KMT2AMEN1NOS3NOS1
SCHEMBL27125027 0.84 MEP1B (0.43) NLRP3KMT2AMEN1NOS3NOS1
SCHEMBL23470803 0.84 CA12 (0.45) AKR1B1IDO1NOS3NOS1NOS2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
US-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 US disclosed
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
US-20030124053-A1 Radiopharmaceuticals for imaging infection and inflammation BRISTOL-MYERS SQUIBB COMPANY 2003-07-03 US disclosed
EP-0999856-B1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-14 EP disclosed
EP-1293214-A2 LTB4 antagonists and radiopharmaceuticals for imaging infection and inflammation Bristol-Myers Squibb Pharma Company (US) 2003-03-19 EP disclosed
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation BARRETT JOHN A (US) 2003-01-09 US disclosed
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LANTHEUS MEDICAL IMAGING, INC. 2003-01-02 US disclosed
US-6416733-B1 RADIOPHARMACEUTICALS BIND IN VIVO TO THE LEUKOTRIENE B4 (LTB4) RECEPTOR ON THE SURFACE OF LEUKOCYTES WHICH ACCUMULATE AT THE SITE OF INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-09 US disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
CN-1239895-A Radiopharmaceuticals for imaging sites of infection and inflammation DU PONT MERCK PHARMA (US) 1999-12-29 CN disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 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 (7 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-20030124053-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H NLRP3 743/4885KMT2A 4348/4885MEN1 2818/4885
US-20200131141-A1 CHEMICAL COMPOUNDS IL1B, CASP1, IL1A NLRP3 4/4885KMT2A 4501/4885MEN1 888/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 NLRP3 88/4885KMT2A 4021/4885MEN1 4015/4885
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H NLRP3 743/4885KMT2A 4348/4885MEN1 2818/4885
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME PPM1A, PPP2CA, PPP3CA NLRP3 4037/4885KMT2A 1632/4885MEN1 3773/4885
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 NLRP3 1615/4885KMT2A 4810/4885MEN1 4557/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 NLRP3 5/4885KMT2A 4408/4885MEN1 1001/4885

“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.