SCHEMBL2205293

SCHEMBL2205293

COc1cccc2sc(C(=O)[C@H]3CC[C@H](N(Cc4ccc5c(n4)NC(=O)CS5)C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
PDE4B Q07343 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DYRK1A Q13627 1/20 0.30

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
SCHEMBL2205300 1.00 NR1H4 (0.34) NR1H4MAPTTP53PDE4BKDM4E
SCHEMBL2207549 0.91 NR1H4 (0.32) NR1H4MAPTTP53PDE4B
SCHEMBL2207545 0.91 NR1H4 (0.32) NR1H4MAPTTP53PDE4B
SCHEMBL2207550 0.91 NR1H4 (0.32) NR1H4MAPTTP53PDE4B
SCHEMBL2205359 0.87 PDE4B (0.32) MAPTTP53PDE4B
SCHEMBL2205352 0.87 PDE4B (0.32) MAPTTP53PDE4B
SCHEMBL2207542 0.84
SCHEMBL2205741 0.81 KCNH2 (0.42)
SCHEMBL2205744 0.81 KCNH2 (0.42)
SCHEMBL4709824 0.81 MAPT (0.35) NR1H4MAPTTP53KDM4EMEN1

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-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US disclosed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP disclosed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 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-20080280888-A1 Antibiotics Derivatives NR4A1, NR2C2, NR4A3 NR1H4 5/4885MAPT 4688/4885TP53 4300/4885

“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.