SCHEMBL1109526

SCHEMBL1109526

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNc3cccc(F)c3)cc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
LMNA P02545 2/20 0.41
CSGALNACT1 Q8TDX6 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL403674 0.90 ALDH1A1 (0.41) DGAT1MEN1KMT2ALMNAMAPT
SCHEMBL1109443 0.89 PTPN1 (0.46) DGAT1MEN1KMT2ALMNAMAPT
SCHEMBL1912129 0.88 ALDH1A1 (0.51) DGAT1MEN1KMT2ALMNAMAPT
SCHEMBL1109362 0.86 ANPEP (0.43) DGAT1LMNACSGALNACT1ANPEP
SCHEMBL1109225 0.85 NAMPT (0.43) DGAT1MEN1KMT2ACSGALNACT1MAPT
SCHEMBL1109295 0.84 HDAC1 (0.49) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1109238 0.84 HDAC1 (0.41) DGAT1MEN1KMT2ALMNAMAPT
SCHEMBL1109395 0.84 DGAT1 (0.46) DGAT1MAPTALDH1A1RAB9ANPC1
SCHEMBL1109195 0.83 SMN1; SMN2 (0.48) KMT2ALMNARAB9ANPC1
SCHEMBL1109360 0.82 NAMPT (0.42) LMNAALDH1A1

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 DGAT1 1874/4885MEN1 2414/4885KMT2A 4800/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS DGAT1 1874/4885MEN1 2414/4885KMT2A 4800/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS DGAT1 1874/4885MEN1 2414/4885KMT2A 4800/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS DGAT1 1874/4885MEN1 2414/4885KMT2A 4800/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS DGAT1 1874/4885MEN1 2414/4885KMT2A 4800/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS DGAT1 1874/4885MEN1 2414/4885KMT2A 4800/4885

“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.