SCHEMBL2505802

SCHEMBL2505802

CC(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(C)(=O)=O)c1NC1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
ATM Q13315 1/20 0.38
MMP8 P22894 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MMP3 P08254 1/20 0.37
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
GLS O94925 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RCE1 Q9Y256 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL2505804 1.00 AAK1 (0.38) AAK1KMT2AMEN1ATMMMP8
SCHEMBL27911449 0.90 POLB (0.36) AAK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL12222769 0.86 KMT2A (0.40) AAK1KMT2AMEN1ATMKDM4E
SCHEMBL2507585 0.86 CYP3A4 (0.40) ALDH1A1
SCHEMBL2504888 0.85 AAK1 (0.41) AAK1KMT2AMEN1ATMKDM4E
SCHEMBL2504891 0.85 AAK1 (0.41) AAK1KMT2AMEN1ATMKDM4E
SCHEMBL2510713 0.85 KMT2A (0.47) AAK1KMT2AMEN1ATMKDM4E
SCHEMBL2510716 0.85 KMT2A (0.47) AAK1KMT2AMEN1ATMKDM4E
SCHEMBL2506886 0.84 KMT2A (0.41) AAK1KMT2AMEN1ATMKDM4E
SCHEMBL13498125 0.83 KMT2A (0.44) AAK1KMT2AMEN1ATMKDM4E

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-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 AAK1 836/4885KMT2A 829/4885MEN1 1636/4885

“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.