SCHEMBL2284294

SCHEMBL2284294

CC(C)C[C@H](NCC=Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.48
P4HB P07237 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
NPR3 P17342 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
DGAT1 O75907 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 4/20 0.35

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
SCHEMBL2284283 1.00 AAK1 (0.48) AAK1P4HBTAS1R3TAS1R1PRMT5
SCHEMBL2284290 1.00 AAK1 (0.48) AAK1P4HBTAS1R3TAS1R1PRMT5
SCHEMBL2345770 1.00 AAK1 (0.48) AAK1P4HBTAS1R3TAS1R1PRMT5
SCHEMBL12374513 0.83 NPR3 (0.39) AAK1P4HBTAS1R3TAS1R1NPR3
SCHEMBL14204179 0.83 NPR3 (0.39) AAK1P4HBTAS1R3TAS1R1NPR3
SCHEMBL2282359 0.81 FPR2 (0.42) AAK1TAS1R3TAS1R1NPR3CYP1A2
SCHEMBL2282351 0.81 FPR2 (0.42) AAK1TAS1R3TAS1R1NPR3CYP1A2
SCHEMBL2282356 0.81 FPR2 (0.42) AAK1TAS1R3TAS1R1NPR3CYP1A2
SCHEMBL2282402 0.81 FPR2 (0.42) AAK1TAS1R3TAS1R1NPR3CYP1A2
SCHEMBL12374514 0.79 AAK1 (0.41) AAK1P4HBPRMT5WDR77NPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 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 (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-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS IRAK3, IKBKE, IRAK1 AAK1 102/4885P4HB 2786/4885TAS1R3 2949/4885

“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.