SCHEMBL490586

SCHEMBL490586

CC(C)(C)OC(=O)N[C@](CCNc1ccc(Br)cc1)(C(=O)O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.41
FPR2 P25090 8/20 0.39
FPR3 P25089 7/20 0.39
AAK1 Q2M2I8 5/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
BCL2 P10415 2/20 0.36
BECN1 Q14457 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL490832 0.78 PTPN11 (0.41) CACNA1BFPR2FPR3AAK1CTSS
SCHEMBL490921 0.78 NPC1 (0.42) CACNA1BFPR2FPR3AAK1CTSS
SCHEMBL375865 0.78 CTSS (0.40) CACNA1BAAK1CTSSCTSKKMT2A
SCHEMBL376033 0.78 CTSS (0.40) CACNA1BAAK1CTSSCTSKKMT2A
SCHEMBL490571 0.77 AKT1 (0.41) CACNA1BCTSSCTSKKMT2A
SCHEMBL1147463 0.76 CTSS (0.41) CACNA1BAAK1CTSSCTSKKMT2A
SCHEMBL490642 0.76 CTSS (0.41) CACNA1BAAK1CTSSCTSKKMT2A
SCHEMBL27757442 0.75 CTSS (0.40) AAK1CTSSCTSKKMT2A
SCHEMBL4848668 0.74 EPHX1 (0.40) CACNA1BCTSSCTSKKMT2ASMN1; SMN2
SCHEMBL4848663 0.74 EPHX1 (0.40) CACNA1BCTSSCTSKKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK CACNA1B 2344/4885FPR2 1640/4885FPR3 567/4885

“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.