SCHEMBL490832

SCHEMBL490832

CC(C)(C)OC(=O)N[C@](CC#Cc1ccc(Br)cc1)(C(=O)O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
CACNA1B Q00975 1/20 0.40
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AAK1 Q2M2I8 6/20 0.35
FPR3 P25089 4/20 0.33
FPR2 P25090 4/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL490915 0.83 AAK1 (0.47) PTPN11AAK1
SCHEMBL490856 0.78 CTSK (0.39) CACNA1BCTSSCTSKSMN1; SMN2ALDH1A1
SCHEMBL490586 0.78 CACNA1B (0.41) CACNA1BCTSSCTSKNPC1RECQL
SCHEMBL490921 0.77 NPC1 (0.42) CACNA1BCTSSCTSKNPC1RECQL
SCHEMBL4848663 0.73 EPHX1 (0.40) CACNA1BCTSSCTSKSMN1; SMN2ALDH1A1
SCHEMBL4848668 0.73 EPHX1 (0.40) CACNA1BCTSSCTSKSMN1; SMN2ALDH1A1
SCHEMBL490571 0.73 AKT1 (0.41) CACNA1BCTSSCTSKKMT2AL3MBTL1
SCHEMBL376033 0.72 CTSS (0.40) CACNA1BCTSSCTSKAAK1ALDH1A1
SCHEMBL375865 0.72 CTSS (0.40) CACNA1BCTSSCTSKAAK1ALDH1A1
SCHEMBL5320288 0.72 KMT2A (0.46) CACNA1BCTSSCTSKKMT2AL3MBTL1

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 PTPN11 670/4885CACNA1B 2344/4885CTSS 2844/4885

“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.