SCHEMBL1109151

SCHEMBL1109151

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2cccc(NC(=O)CN3CCOCC3)c2)cc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HTT P42858 1/20 0.52
MAP4K4 O95819 1/20 0.49
MAPK1 P28482 1/20 0.47
JAK3 P52333 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1109217 0.91 ATM (0.50) ALDH1A1LMNASMN1; SMN2
SCHEMBL403722 0.87 ALDH1A1 (0.49) ALDH1A1HTT
SCHEMBL4232735 0.84 ATM (0.48) ALDH1A1LMNASMN1; SMN2
SCHEMBL1109254 0.84 HDAC1 (0.49) ALDH1A1
SCHEMBL4232730 0.84 HRH3 (0.50) ALDH1A1LMNASMN1; SMN2
SCHEMBL1109124 0.84 HDAC1 (0.49) ALDH1A1
SCHEMBL1109267 0.83 SMN1; SMN2 (0.50) ALDH1A1MAP4K4MAPK1LMNASMN1; SMN2
SCHEMBL405228 0.83 ATM (0.47)
SCHEMBL1109358 0.82 HPGDS (0.46)
SCHEMBL1109453 0.82 NPC1 (0.54) ALDH1A1HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885HTT 4781/4885MAP4K4 2347/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885HTT 4781/4885MAP4K4 2347/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885HTT 4781/4885MAP4K4 2347/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885HTT 4781/4885MAP4K4 2347/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885HTT 4781/4885MAP4K4 2347/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ALDH1A1 782/4885HTT 4781/4885MAP4K4 2347/4885

“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.