SCHEMBL677461

SCHEMBL677461

CN(C)CCOC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@H]1O

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP12A P54707 6/20 0.84
ATP1A1 P05023 4/20 0.84
ATP1B1 P05026 4/20 0.84
ATP1A3 P13637 4/20 0.84
ATP1B2 P14415 4/20 0.84
ATP1A2 P50993 4/20 0.84
ATP1B3 P54709 4/20 0.84
FXYD2 P54710 4/20 0.84
ATP1A4 Q13733 4/20 0.84
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
RORC P51449 4/20 0.34
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
PSMB1 P20618 2/20 0.30
PSMB5 P28074 2/20 0.30
PSMB2 P49721 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
SCHEMBL11892867 1.00 ATP12A (0.84) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Cassaine SCHEMBL4167835 0.91 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Cassaine SCHEMBL4167834 0.91 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Cassaine SCHEMBL7805406 0.88 ATP12A (0.93) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL5087938 0.81 ATP12A (0.81) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL3134704 0.77 ATP12A (0.69) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL30505265 0.77 ATP1A1 (0.73) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL6857605 0.77 ATP1A1 (0.73) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL4148208 0.77 ATP1A1 (0.73) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL6857608 0.77 ATP1A1 (0.73) ATP12AATP1A1ATP1B1ATP1A3ATP1B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023487-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION INTERNATIONAL PATENT HOLDINGS LLC (KN) 2013-01-24 US disclosed
US-20130023487-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION INTERNATIONAL PATENT HOLDINGS LLC (KN) 2013-01-24 US disclosed
US-20120190734-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION INTERNATIONAL PATENT HOLDINGS LLC (KN) 2012-07-26 US disclosed
US-8067401-B2 Compounds and compositions for treating infection INTERNATIONAL PATENT HOLDINGS LLC (KN) 2011-11-29 US disclosed
US-20090069277-A1 Compounds and compositions for treating infection INTERNATIONAL PATENT HOLDINGS LTD. 2009-03-12 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 (3 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-20120190734-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION RPN2, LSS, CLIC4 ATP12A 996/4885ATP1A1 2248/4885ATP1B1 589/4885
US-20130023487-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION RPN2, LSS, CLIC4 ATP12A 996/4885ATP1A1 2248/4885ATP1B1 589/4885
US-20090069277-A1 Compounds and compositions for treating infection RPN2, LSS, CLIC4 ATP12A 996/4885ATP1A1 2248/4885ATP1B1 589/4885

“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.