SCHEMBL1039434

SCHEMBL1039434

CCN(CCO)C(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALDH2 P05091 2/20 0.43
LMNA P02545 1/20 0.39
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
CA1 P00915 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 2/20 0.34
CA2 P00918 2/20 0.33
POLB P06746 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL318240 0.83
SCHEMBL134968 0.81 ALDH1A1 (0.46) ALDH1A1ALDH2LMNACA12CA9
SCHEMBL28912905 0.81 ALDH1A1 (0.46) ALDH1A1ALDH2LMNACA12CA9
SCHEMBL13844086 0.80 CA12 (0.61) ALDH1A1ALDH2LMNACA12CA9
SCHEMBL5465384 0.79 LMNA (0.52) ALDH1A1ALDH2LMNACA12CA9
SCHEMBL25163064 0.77 LMNA (0.62) ALDH1A1ALDH2LMNACA12CA9
SCHEMBL22271561 0.77 ALDH1A1 (0.43) ALDH1A1ALDH2LMNACA12CA9
SCHEMBL8636679 0.77 LMNA (0.50) ALDH1A1ALDH2LMNACA12CA9
SCHEMBL7121249 0.77 ALDH1A1 (0.43) ALDH1A1ALDH2LMNACA12CA9
SCHEMBL10348297 0.77 ALDH1A1 (0.43) ALDH1A1ALDH2LMNACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 US disclosed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO 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 (2 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-20060014783-A1 Sulfonylamino-acetic acid derivatives HCRTR2, HCRTR1, GIPR ALDH1A1 496/4885ALDH2 716/4885LMNA 2623/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR ALDH1A1 496/4885ALDH2 716/4885LMNA 2623/4885

“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.