SCHEMBL5000597

SCHEMBL5000597

COC(=O)CNC(=O)OC(C)(C)Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSK P43235 4/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 2/20 0.40
CTSS P25774 1/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
PMP22 Q01453 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL2929113 0.89 CTSK (0.42) KMT2AALDH1A1CTSKKDM4EL3MBTL1
SCHEMBL28196661 0.78 CYP3A4 (0.46) KMT2ACTSKKDM4EL3MBTL1GLA
SCHEMBL3912645 0.77 CTSK (0.43) ALDH1A1CTSKKDM4EHPGDSMN1; SMN2
SCHEMBL28196662 0.77 CYP3A4 (0.45) CTSKLMNACTSSCYP3A4CYP1A2
SCHEMBL2491151 0.75 CYP3A4 (0.48) KMT2AALDH1A1KDM4EL3MBTL1GLA
SCHEMBL14799727 0.75 CYP3A4 (0.40) ALDH1A1CTSKKDM4EGLALMNA
SCHEMBL1999414 0.73 PYCR1 (0.49) KMT2AALDH1A1KDM4EL3MBTL1GLA
SCHEMBL2919369 0.73 CTSK (0.46) CTSKKDM4EL3MBTL1GLACTSS
SCHEMBL19220803 0.73 CYP3A4 (0.56) KMT2AALDH1A1CTSKKDM4ELMNA
SCHEMBL1295442 0.72 CTSS (0.48) KMT2ACTSKKDM4EL3MBTL1GLA

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 2622/4885ALDH1A1 4411/4885CTSK 1615/4885

“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.