SCHEMBL2502292

SCHEMBL2502292

COC(=O)[C@@H](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
SCHEMBL2586006 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132524-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC 2024-04-25 US disclosed
WO-2024064210-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC (US) 2024-03-28 WO disclosed
US-8030513-B2 Rheology control agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-04 US disclosed
US-20100204376-A1 Rheology Control Agents AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2010-08-12 US disclosed
US-7741510-B2 Rheology control agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-22 US disclosed
EP-1838749-A1 COATING COMPOSITIONS CONTAINING RHEOLOGY CONTROL AGENTS E.I.Du pont de nemours and company (US) 2007-10-03 EP disclosed
WO-2006076715-A1 COATING COMPOSITIONS CONTAINING RHEOLOGY CONTROL AGENTS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-07-20 WO disclosed
US-20060155021-A1 Coating compositions containing rheology control agents E. I. DU PONT DE NEMOURS AND COMPANY 2006-07-13 US disclosed
US-20060155146-A1 Rheology control agents AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-07-13 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-20060155146-A1 Rheology control agents HCRTR1, HCRTR2, REL NLRP3 3037/4885KMT2A 2284/4885MEN1 4191/4885
US-20100204376-A1 Rheology Control Agents HCRTR1, HCRTR2, REL NLRP3 3037/4885KMT2A 2284/4885MEN1 4191/4885
US-20240132524-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY NME2, BTD, BLVRB NLRP3 4825/4885KMT2A 3293/4885MEN1 1136/4885

“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.