SCHEMBL5069979

SCHEMBL5069979

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 4/20 0.70
NOD1 Q9Y239 3/20 0.60
EPHX2 P34913 2/20 0.59
FAAH O00519 5/20 0.55
FNTA P49354 2/20 0.54
FNTB P49356 2/20 0.54
HDAC2 Q92769 1/20 0.53
ASAH2 Q9NR71 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DEGS1 O15121 1/20 0.52
PGGT1B P53609 1/20 0.52

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
SCHEMBL31027056 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL5662643 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL15650190 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL5662648 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL5662639 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL11418516 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL20398927 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL11420979 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL22424713 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA
SCHEMBL5662646 1.00 SLC6A5 (0.70) SLC6A5NOD1EPHX2FAAHFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914223-A1 Anti-inflammatory and immunomodulatory amino acid derivatives, their preparation and use CRODA INTERNATIONAL plc (GB) 2008-04-23 EP claimed
US-6956059-B2 Anti-inflammatory and immunomodulatory amino acid derivatives, their preparation and use CRODA INTERNATIONAL, PLC (GB) 2005-10-18 US claimed
US-20040242663-A1 Anti-inflammatory and immunomodulatory amino acid derivatives, their preparation and use CRODA INTERNATIONAL, PLC (GB) 2004-12-02 US claimed
EP-1389180-A1 ANTI-INFLAMMATORY AND IMMUNOMODULATORY AMINO ACID DERIVATIVES, THEIR PREPARATION AND USE CRODA INTERNATIONAL plc (GB) 2004-02-18 EP claimed
WO-2002094764-A1 ANTI-INFLAMMATORY AND IMMUNOMODULATORY AMINO ACID DERIVATIVES, THEIR PREPARATION AND USE CRODA INTERNATIONAL PLC (GB) 2002-11-28 WO claimed
EP-1914223-A1 Anti-inflammatory and immunomodulatory amino acid derivatives, their preparation and use CRODA INTERNATIONAL plc (GB) 2008-04-23 EP disclosed
US-6956059-B2 Anti-inflammatory and immunomodulatory amino acid derivatives, their preparation and use CRODA INTERNATIONAL, PLC (GB) 2005-10-18 US disclosed
US-20040242663-A1 Anti-inflammatory and immunomodulatory amino acid derivatives, their preparation and use CRODA INTERNATIONAL, PLC (GB) 2004-12-02 US disclosed
EP-1389180-A1 ANTI-INFLAMMATORY AND IMMUNOMODULATORY AMINO ACID DERIVATIVES, THEIR PREPARATION AND USE CRODA INTERNATIONAL plc (GB) 2004-02-18 EP disclosed
WO-2002094764-A1 ANTI-INFLAMMATORY AND IMMUNOMODULATORY AMINO ACID DERIVATIVES, THEIR PREPARATION AND USE CRODA INTERNATIONAL PLC (GB) 2002-11-28 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 (1 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-20040242663-A1 Anti-inflammatory and immunomodulatory amino acid derivatives, their preparation and use ARG1, IL6, IL4I1 SLC6A5 2993/4885NOD1 87/4885EPHX2 1314/4885

“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.