SCHEMBL3015800

SCHEMBL3015800

COC(=O)C(N)C(C)(C)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
PTGS1 P23219 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 3/20 0.33
CA12 O43570 2/20 0.32
DPP4 P27487 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
DGAT1 O75907 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 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
SCHEMBL20879474 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL500459 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL500460 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL255215 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL29398329 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL1705950 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL16147546 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL737492 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL16821022 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL3197516 0.78 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTPTGS1CA1

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-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
CN-101765585-A Antibacterial agent ACHAOGEN INC 2010-06-30 CN disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885ALDH1A1 687/4885MAPT 4643/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885ALDH1A1 687/4885MAPT 4643/4885

“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.