SCHEMBL5003755

SCHEMBL5003755

NC(=O)CNCCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
POLB P06746 9/20 0.47
CTDSP1 Q9GZU7 6/20 0.47
GRK2 P25098 5/20 0.47
LIG1 P18858 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
GPR35 Q9HC97 1/20 0.47
PLCG1 P19174 1/20 0.46
HSD11B1 P28845 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
APEX1 P27695 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL5003757 0.79 KMT2A (0.50) KMT2APOLBCTDSP1GRK2LIG1
SCHEMBL27477939 0.78 KMT2A (0.58) KMT2APOLBCTDSP1GRK2LIG1
SCHEMBL20743688 0.77 MMP1 (0.66) KMT2APLCG1SMN1; SMN2MEN1
SCHEMBL4351497 0.76 KMT2A (0.61) KMT2APOLBCTDSP1GRK2LIG1
SCHEMBL22333253 0.74 ALDH1A1 (0.67) KMT2APOLBPLCG1HSD11B1SMN1; SMN2
SCHEMBL5106212 0.74 HDAC3 (0.46) KMT2APOLBCTDSP1MEN1
SCHEMBL5735887 0.72 KMT2A (0.43) KMT2AGRK2SMN1; SMN2MEN1
SCHEMBL5285711 0.70 L3MBTL1 (0.58) HSD11B1L3MBTL1KDM4E
SCHEMBL13586189 0.70 PLCG1 (0.61) KMT2APOLBCTDSP1GRK2LIG1
SCHEMBL1938871 0.70 CA2 (0.64) KMT2APOLBCTDSP1GRK2PLCG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 WO 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF KMT2A 2622/4885POLB 525/4885CTDSP1 1156/4885

“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.