SCHEMBL4867385

SCHEMBL4867385

CC(C)(CO)n1cnc2ncccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
KMT2A Q03164 1/20 0.33
FDPS P14324 1/20 0.33
BACE1 P56817 1/20 0.31
ASAH1 Q13510 1/20 0.31
CYP2C9 P11712 2/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12410751 0.81 LTA4H (0.35) LTA4HKMT2ABACE1ALDH1A1L3MBTL1
SCHEMBL4870504 0.79 MKNK1 (0.34) LTA4HMKNK1MKNK2
SCHEMBL21475765 0.75 LTA4H (0.33) LTA4HMKNK1MKNK2BACE1ASAH1
SCHEMBL4867892 0.74 TP53 (0.43) KMT2AFDPS
SCHEMBL18188312 0.74 LTA4H (0.35) LTA4HMKNK1MKNK2KMT2ABACE1
SCHEMBL4868166 0.74 IDO1 (0.37) IDO1CYP1A2ALDH1A1
SCHEMBL3967817 0.70 LTA4H (0.48) LTA4HMKNK1MKNK2KMT2AFDPS
SCHEMBL4865116 0.70 KDM4E (0.36) KMT2ABACE1ASAH1CYP2C9IDO1
SCHEMBL4865112 0.70 KDM4E (0.36) KMT2ABACE1ASAH1CYP2C9IDO1
SCHEMBL9598840 0.68 LTA4H (0.52) LTA4HKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 (2 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD LTA4H 456/4885MKNK1 700/4885MKNK2 1101/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL LTA4H 379/4885MKNK1 2019/4885MKNK2 2037/4885

“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.