SCHEMBL2495617

SCHEMBL2495617

CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)OC(=O)[C@H](CC(N)=O)NC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
FAAH O00519 1/20 0.51
MAPK1 P28482 1/20 0.51
NOD1 Q9Y239 8/20 0.50
DNM1 Q05193 1/20 0.50
LPAR3 Q9UBY5 3/20 0.44
SLC6A5 Q9Y345 2/20 0.44
HSP90AA1 P07900 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
LPAR1 Q92633 1/20 0.43

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
SCHEMBL9664232 0.93 NOD1 (0.49) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL24095932 0.90 KMT2A (0.58) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL7752876 0.86 NOD1 (0.55) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL7756180 0.86 NOD1 (0.55) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL3062723 0.86 FAAH (0.56) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL21732833 0.86 FAAH (0.56) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL9664089 0.86 FAAH (0.56) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL23404043 0.86 FAAH (0.56) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL9664208 0.86 FAAH (0.56) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL9664172 0.86 FAAH (0.56) KMT2AMEN1FAAHMAPK1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1547998-B1 NOVEL COMPOSITION CONTAINING ACYL GROUP ASAHI KASEI CHEMICALS CORP (JP) 2011-10-26 EP disclosed
US-20090093388-A1 NOVEL ACYL GROUP-CONTAINING COMPOSITION ASAHI KASEI CHEMICALS CORPORATION 2009-04-09 US disclosed
US-7488841-B2 Composition containing acyl group ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-02-10 US disclosed
US-20050265951-A1 Novel composition containing acyl group ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-12-01 US disclosed
EP-1547998-A1 NOVEL COMPOSITION CONTAINING ACYL GROUP Asahi Kasei Chemicals Corporation (JP) 2005-06-29 EP 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 (2 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-20090093388-A1 NOVEL ACYL GROUP-CONTAINING COMPOSITION AADAC, ACADM, NAAA KMT2A 1132/4885MEN1 4083/4885FAAH 230/4885
US-20050265951-A1 Novel composition containing acyl group AADAC, ACADM, ADCK5 KMT2A 1392/4885MEN1 3922/4885FAAH 258/4885

“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.