SCHEMBL2282402

SCHEMBL2282402

CC(C)CC(NC/C=C/c1ccc(Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
AAK1 Q2M2I8 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
NPR3 P17342 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
NOS3 P29474 3/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2282356 1.00 FPR2 (0.42) FPR2TAS1R3TAS1R1AAK1SMN1; SMN2
SCHEMBL2282359 1.00 FPR2 (0.42) FPR2TAS1R3TAS1R1AAK1SMN1; SMN2
SCHEMBL2282351 1.00 FPR2 (0.42) FPR2TAS1R3TAS1R1AAK1SMN1; SMN2
SCHEMBL2284283 0.81 AAK1 (0.48) TAS1R3TAS1R1AAK1RECQLNPR3
SCHEMBL2284290 0.81 AAK1 (0.48) TAS1R3TAS1R1AAK1RECQLNPR3
SCHEMBL2284294 0.81 AAK1 (0.48) TAS1R3TAS1R1AAK1RECQLNPR3
SCHEMBL2345770 0.81 AAK1 (0.48) TAS1R3TAS1R1AAK1RECQLNPR3
SCHEMBL2347791 0.75 CHEK1 (0.49) TDP1KMT2A
SCHEMBL2347797 0.75 CHEK1 (0.49) TDP1KMT2A
SCHEMBL2347803 0.75 CHEK1 (0.49) TDP1KMT2A

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 FPR2 1289/4885TAS1R3 2949/4885TAS1R1 2909/4885

“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.