SCHEMBL5166592

SCHEMBL5166592

CCOC(=O)c1c(NC(=O)OC(C)(C)C)sc2cc(-c3ccc(F)cc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.44
GRM6 O15303 1/20 0.43
PRKCZ Q05513 1/20 0.43
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL5165610 0.86 HDAC1 (0.38) MEN1KMT2ANPC1RAB9A
SCHEMBL6135345 0.85 GRM2 (0.42) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL16817608 0.81 MAPT (0.49) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL5166243 0.77 GRM6 (0.62) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL3491801 0.72 L3MBTL1 (0.44) MAPTALDH1A1THRBNPSR1KDM4E
SCHEMBL16504866 0.72 RPS6KB1 (0.40) MAPTMEN1KMT2AALDH1A1THRB
SCHEMBL16504497 0.71 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1THRB
SCHEMBL3498006 0.70 GRM6 (0.58) MAPTMEN1KMT2AALDH1A1THRB
SCHEMBL15049013 0.70 TRPM8 (0.61) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL28892128 0.70 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1NPSR1

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-7300952-B2 NF-κb inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-11-27 US disclosed
EP-1532135-B1 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-04-04 EP disclosed
US-20060058371-A1 Inhibiting pathological activation of the transcription factor NF- kappa B (nuclear factor- kappa B); amino-benzothiophene compounds, therapy of inflammatory and tissue repair disorders; particularly rheumatoid arthritis, inflammatory bowel disease, asthma and chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2006-03-16 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-20060058371-A1 Inhibiting pathological activation of the transcription factor NF- kappa B (nuclear factor- kappa B); amino-benzothiophene compounds, therapy of inflammatory and tissue repair disorders; particularly rheumatoid arthritis, inflammatory bowel disease, asthma and chronic obstructive pulmonary disease NFKBIA, IKBKG, RELA MAPT 1873/4885MEN1 4845/4885KMT2A 1435/4885

“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.