SCHEMBL5542886

SCHEMBL5542886

CSCC[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ PTK2 Q05397 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 9/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 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
SCHEMBL6421351 0.90 PTK2 (0.46) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL14497005 0.86 TRPA1 (0.43) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL5543008 0.85 PTK2 (0.45) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL27619917 0.85 PTK2 (0.45) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL5544848 0.83 PTK2 (0.45) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL5543092 0.82 SMN1; SMN2 (0.44) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL5548909 0.81 RAB9A (0.51) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL5549087 0.81 RAB9A (0.51) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL5548889 0.80 PTK2 (0.45) L3MBTL1MAPK1PTK2TDP1RAB9A
SCHEMBL5548531 0.79 L3MBTL1 (0.48) L3MBTL1MAPK1PTK2TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S L3MBTL1 91/4885MAPK1 2378/4885PTK2 3479/4885

“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.

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