SCHEMBL2045164

SCHEMBL2045164

CCCCCN(CC(=O)O)C(=O)[C@@H](CS)NC(=O)CCC(N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 12/20 0.54
PTGS1 P23219 1/20 0.51
GSTK1 Q9Y2Q3 1/20 0.51
CCKBR P32239 2/20 0.41
GLO1 Q04760 1/20 0.41

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
SCHEMBL6677046 1.00 NOD1 (0.54) NOD1PTGS1GSTK1CCKBRGLO1
SCHEMBL3796642 0.99 NOD1 (0.56) NOD1PTGS1GSTK1CCKBRGLO1
SCHEMBL2787322 0.99 NOD1 (0.56) NOD1PTGS1GSTK1CCKBRGLO1
SCHEMBL3798413 0.97 NOD1 (0.52) NOD1PTGS1GSTK1CCKBRGLO1
SCHEMBL3796919 0.92 PTGS1 (0.54) NOD1PTGS1GSTK1CCKBRGLO1
SCHEMBL8858265 0.91 NOD1 (0.57) NOD1PTGS1GSTK1CCKBR
SCHEMBL3388427 0.90 PTGS1 (0.54) NOD1PTGS1GSTK1GLO1
SCHEMBL2733937 0.89 PTGS1 (0.47) NOD1PTGS1GSTK1GLO1
SCHEMBL8933685 0.87 NOD1 (0.45) NOD1PTGS1GSTK1CCKBR
SCHEMBL4657010 0.87 PTGS1 (0.56) NOD1PTGS1GSTK1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2775874-B1 PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND THE TREATMENT OF DEGENERATIVE SKIN DISORDERS ESPECIALLY CAUSED BY IONIZING RADIATIONS SOLOSALE S R L (IT) 2018-01-10 EP disclosed
US-20110160143-A1 Topical Acyl Glutathione Psoriasis Compositions N.V. PERRICONE LLC 2011-06-30 US disclosed
EP-0783582-B1 PROCESS OF PRODUCING $g(b)-LACTAM ANTIBIOTICS APPLYING MICROORGANISMS WITH INCREASED LIGASE ACTIVITY DSM IP ASSETS BV (NL) 2005-03-02 EP disclosed
US-6180360-B1 ACYL-COENZYME A SYNTHETASE GIST-BROCADES (NL) 2001-01-30 US disclosed
US-5942411-A ISOLATED ACYL-COENZYME A SYNTHETASE FROM PENICILLIUM CHRYSOGENUM WHICH IS MORE ACTIVE TOWARDS PHENOXYACETIC ACID AND PHENYLACETIC ACID THAN ACETIC ACID; FOR EFFICIENT SYNTHESIS OF PENICILLIN G AND V AMONG OTHERS GIST-BROCADES (NL) 1999-08-24 US disclosed
EP-0783582-A1 PROCESS OF PRODUCING $g(b)-LACTAM ANTIBIOTICS APPLYING MICROORGANISMS WITH INCREASED LIGASE ACTIVITY GIST-BROCADES B.V. (NL) 1997-07-16 EP disclosed
WO-1996010085-A1 PROCESS OF PRODUCING β-LACTAM ANTIBIOTICS APPLYING MICROORGANISMS WITH INCREASED LIGASE ACTIVITY GIST-BROCADES B.V. (NL) 1996-04-04 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-20110160143-A1 Topical Acyl Glutathione Psoriasis Compositions GSTA2, GSTA1, GSTM2 NOD1 2653/4885PTGS1 72/4885GSTK1 7/4885

“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.