SCHEMBL5227100

SCHEMBL5227100

CC(C)(C)OCCNCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
RAB9A P51151 1/20 0.41
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC2A4 P14672 1/20 0.39
DRD4 P21917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL11320938 0.82 DRD4 (0.58) ALDH1A1KDM4EGAADRD4
SCHEMBL13612961 0.81 L3MBTL1 (0.49) ALDH1A1KDM4ECYP2D6CYP2C19SMN1; SMN2
SCHEMBL2567290 0.80 L3MBTL1 (0.57) ALDH1A1KDM4EGLAGAAHTR2A
SCHEMBL13605109 0.79 KMT2A (0.52) KDM4EGAARAB9AL3MBTL1
SCHEMBL29444840 0.77 MEN1 (0.56) ALDH1A1KDM4EGLAGAAHTR2A
SCHEMBL4046115 0.77 CYP3A4 (0.49) ALDH1A1KDM4EGLAGAAHTR2A
SCHEMBL14498982 0.76 LOXL2 (0.45) ALDH1A1KDM4ECYP3A4CYP2D6RAB9A
SCHEMBL13662561 0.76 KMT2A (0.40) ALDH1A1KDM4EGAARAB9ASMN1; SMN2
SCHEMBL3741348 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGAAHTR2A
SCHEMBL968673 0.73 ALDH1A1 (0.51) ALDH1A1KDM4EGLAHTR2AHTR2C

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 ALDH1A1 1383/4885KDM4E 1747/4885GLA 73/4885

“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.