SCHEMBL1039232

SCHEMBL1039232

CN(C)c1cccc(NCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
HDAC4 P56524 1/20 0.48
MEF2D Q14814 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
KCNK3 O14649 1/20 0.44
AKR1C3 P42330 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
Hydrochloric Acid SCHEMBL1039218 1.00 ALDH1A1 (0.54) ALDH1A1GAAALOX15MAPK1BCHE
SCHEMBL1039858 0.84 ALDH1A1 (0.48) ALDH1A1GAAALOX15MAPK1BCHE
SCHEMBL12622712 0.83 CA12 (0.58) ALDH1A1GAAALOX15MAPK1BCHE
SCHEMBL340537 0.82 AKR1C3 (0.55) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL9518079 0.79 AKR1C3 (0.51) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL865108 0.79 ALDH1A1 (0.50) ALDH1A1GAAALOX15MAPK1BCHE
SCHEMBL9133019 0.79 MAPT (0.49) ALDH1A1GAAALOX15MAPK1HDAC4
SCHEMBL4805587 0.77 MAPT (0.60) ALDH1A1GAAMAPK1MAPTKMT2A
SCHEMBL18338708 0.77 NOS1 (0.48) ALDH1A1GAAALOX15MAPK1BCHE
SCHEMBL3769612 0.76 ALDH1A1 (0.72) ALDH1A1GAAALOX15MAPK1BCHE

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 9 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
CN-1332942-C Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-08-22 CN disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 US disclosed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 CN 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 496/4885GAA 424/4885ALOX15 1632/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR ALDH1A1 496/4885GAA 424/4885ALOX15 1632/4885

“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.