SCHEMBL3085972

SCHEMBL3085972

CCOC(=O)c1ccc2cc(C(=O)OCC)n(C[C@H](COS(C)(=O)=O)OS(C)(=O)=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F10 P00742 2/20 0.41
NOD2 Q9HC29 5/20 0.40
NOD1 Q9Y239 5/20 0.40
HCRTR1 O43613 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 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
SCHEMBL3079780 0.78 MEN1 (0.47) MEN1KMT2AF10NOD2NOD1
SCHEMBL3079776 0.78 MEN1 (0.47) MEN1KMT2AF10NOD2NOD1
SCHEMBL14904439 0.75 MEN1 (0.45) MEN1KMT2AF10NOD2NOD1
SCHEMBL12598732 0.74 KDM4E (0.51) MEN1KMT2AF10NOD2NOD1
SCHEMBL1983207 0.73 MEN1 (0.49) MEN1KMT2AF10NOD2NOD1
SCHEMBL16122146 0.72 CHRM1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1979481 0.71 SMN1; SMN2 (0.48) MEN1KMT2AF10NOD2NOD1
SCHEMBL1979480 0.71 NOD2 (0.45) MEN1KMT2AF10NOD2NOD1
SCHEMBL1978900 0.70 MEN1 (0.40) MEN1KMT2AF10NOD2NOD1
SCHEMBL1980214 0.70 F10 (0.46) MEN1KMT2AF10NOD2NOD1

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-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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-20060276453-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MEN1 2117/4885KMT2A 1226/4885F10 2911/4885

“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.