SCHEMBL5543092

SCHEMBL5543092

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 9/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ GLA P06280 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL14497002 0.86 TRPA1 (0.44) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL6421351 0.84 PTK2 (0.46) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL5544848 0.83 PTK2 (0.45) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL5543008 0.83 PTK2 (0.45) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL27619917 0.83 PTK2 (0.45) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL5542886 0.82 L3MBTL1 (0.44) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL5548909 0.82 RAB9A (0.51) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL5549087 0.82 RAB9A (0.51) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL5548889 0.81 PTK2 (0.45) SMN1; SMN2PTK2TDP1RAB9ANPC1
SCHEMBL5548531 0.80 L3MBTL1 (0.48) SMN1; SMN2PTK2TDP1RAB9ANPC1

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 SMN1; SMN2 763/4885PTK2 3479/4885TDP1 1949/4885

“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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