Isobutane

Isobutane

SCHEMBL4853535

CC(C)C.C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.NC(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.59
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
CTSK P43235 1/20 0.44
TPSAB1 Q15661 2/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
CYP1A2 P05177 1/20 0.43
BACE1 P56817 1/20 0.42
ATM Q13315 1/20 0.42
LGMN Q99538 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL19295567 0.87 SYK (0.71) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL20365967 0.84 SYK (0.72) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL12295578 0.84 SYK (0.66) SYKCTSKTPSAB1PLGPRSS1
SCHEMBL14643376 0.84 SYK (0.66) SYKCTSKTPSAB1PLGPRSS1
SCHEMBL12393744 0.84 SYK (0.66) SYKCTSKTPSAB1PLGPRSS1
SCHEMBL20358408 0.84 SYK (0.72) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL4853159 0.83 SYK (0.55) SYKMAPTKLK7KLK5CTSK
SCHEMBL19295621 0.83 SYK (0.64) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL30387033 0.82 SYK (0.63) SYKMAPTL3MBTL1CTSKTPSAB1
SCHEMBL4853166 0.82 SYK (0.57) SYKMAPTL3MBTL1KLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC SYK 3060/4885MAPT 4356/4885L3MBTL1 2907/4885

“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.