SCHEMBL5548990

SCHEMBL5548990

CS(=O)(=O)CC[CH]CNC(=O)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ TSHR P16473 2/20 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
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL5548991 0.81 PTK2 (0.49) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL24654650 0.75 L3MBTL1 (0.78) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL5543092 0.72 SMN1; SMN2 (0.44) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL29800208 0.72 PTK2 (0.59) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL5548543 0.71 L3MBTL1 (0.57) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL5544843 0.71 MAOB (0.60) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL14497008 0.71 TRPA1 (0.42) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL10015596 0.69 PTK2 (0.74) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL29538166 0.68 NPSR1 (0.65) PTK2TDP1L3MBTL1RAB9ANPC1
SCHEMBL4687835 0.68 NPSR1 (0.65) PTK2TDP1L3MBTL1RAB9ANPC1

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 PTK2 3479/4885TDP1 1949/4885L3MBTL1 91/4885

“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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