SCHEMBL5228250

SCHEMBL5228250

O=C(O)NCCNCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 1/20 0.46
SAT1 P21673 1/20 0.42
EPHX1 P07099 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL21244941 0.86 CYP2D6 (0.37) TDP1CYP2D6SAT1HDAC3HDAC4
SCHEMBL21244788 0.83 CYP2D6 (0.38) TDP1CYP2D6SAT1EPHX1HDAC3
SCHEMBL21244562 0.83 KDM5A (0.40) TDP1CYP2D6
SCHEMBL4396576 0.80 CYP2D6 (0.63) TDP1CYP2D6EPHX1ALDH1A1CYP3A4
SCHEMBL217411 0.80
SCHEMBL4396572 0.80 CYP2D6 (0.63) TDP1CYP2D6EPHX1ALDH1A1CYP3A4
SCHEMBL13136202 0.80 SAT1 (0.45) TDP1SAT1EPHX1HDAC3HDAC4
SCHEMBL14435548 0.80 TDP1 (0.68) TDP1CYP2D6SAT1EPHX1HDAC3
Hydrochloric Acid SCHEMBL4316280 0.78
SCHEMBL2240590 0.77 CA3 (0.42) TDP1CYP2D6ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444201-B1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LTD (GB) 2007-09-12 EP disclosed
US-7179835-B2 2-(3-sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2007-02-20 US disclosed
US-20050004119-A1 2-(3-Sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-01-06 US 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-20050004119-A1 2-(3-Sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors SERPINC1, F11, SERPINE1 TDP1 2383/4885CYP2D6 1344/4885SAT1 3140/4885

“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.