SCHEMBL1105505

SCHEMBL1105505

C=CCOC(=O)NC[C@H](NC(=O)c1ccc(-c2ccc(CC)cc2)cc1)C(=O)NOCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KLKB1 P03952 1/20 0.40
CTSS P25774 5/20 0.38
CTSL P07711 4/20 0.38
LMNA P02545 1/20 0.38
CTSB P07858 4/20 0.38
CTSK P43235 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HDAC1 Q13547 1/20 0.37
TAOK1 Q7L7X3 2/20 0.37
TAOK3 Q9H2K8 2/20 0.37
F10 P00742 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12361270 1.00 L3MBTL1 (0.41) L3MBTL1KLKB1CTSSCTSLLMNA
SCHEMBL1105507 0.79 L3MBTL1 (0.47) L3MBTL1KLKB1CTSSCTSLLMNA
SCHEMBL9925875 0.79 L3MBTL1 (0.47) L3MBTL1KLKB1CTSSCTSLLMNA
SCHEMBL16994904 0.76 L3MBTL1 (0.45) L3MBTL1KLKB1CTSSCTSLLMNA
SCHEMBL10286678 0.72 HDAC1 (0.45) L3MBTL1CTSSCTSLCTSBCTSK
SCHEMBL404639 0.71 L3MBTL1 (0.48) L3MBTL1CTSSCTSLLMNACTSB
SCHEMBL404950 0.70 TAS1R3 (0.47) L3MBTL1CTSSCTSLLMNACTSB
SCHEMBL1105502 0.70 TAS1R3 (0.47) L3MBTL1CTSSCTSLLMNACTSB
SCHEMBL405285 0.70 TAS1R3 (0.44) L3MBTL1CTSSCTSLLMNACTSB
SCHEMBL12228311 0.68 SNCA (0.56) LMNAALDH1A1TDP1POLBSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS L3MBTL1 2665/4885KLKB1 2923/4885CTSS 300/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS L3MBTL1 2665/4885KLKB1 2923/4885CTSS 300/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS L3MBTL1 2665/4885KLKB1 2923/4885CTSS 300/4885

“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.