SCHEMBL630156

SCHEMBL630156

CC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
NFKB1 P19838 1/20 0.56
KCNH2 Q12809 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 2/20 0.55
CYP3A4 P08684 2/20 0.55
NR1H4 Q96RI1 2/20 0.55
THRB P10828 1/20 0.55
BLM P54132 1/20 0.55
ATM Q13315 1/20 0.55
EPHX2 P34913 1/20 0.55
HTT P42858 3/20 0.54
TP53 P04637 1/20 0.51
HIF1A Q16665 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49

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
SCHEMBL6941062 0.85 CACNA1B (0.62) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
SCHEMBL22276926 0.81 SMN1; SMN2 (0.63) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
SCHEMBL12368426 0.81 ALDH1A1 (0.65) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
SCHEMBL2924725 0.80 CACNA1B (0.65) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
SCHEMBL11196763 0.80 ALDH1A1 (0.64) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
SCHEMBL13922754 0.79 ALDH1A1 (0.59) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
SCHEMBL11352597 0.79 ALDH1A1 (0.59) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
SCHEMBL7478908 0.79 ALDH1A1 (0.59) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
Hydrochloric Acid SCHEMBL1417877 0.79 CACNA1B (0.62) ALDH1A1NFKB1KCNH2CACNA1BAPBA1
SCHEMBL10192063 0.79 TDP1 (0.58) ALDH1A1SMN1; SMN2POLBHIF1ACA12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
EP-2484680-A1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors Basilea Pharmaceutica AG (CH) 2012-08-08 EP disclosed
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP disclosed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 WO disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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 (4 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885NFKB1 301/4885KCNH2 3164/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885NFKB1 301/4885KCNH2 3164/4885
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 ALDH1A1 3038/4885NFKB1 1344/4885KCNH2 4697/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M ALDH1A1 2423/4885NFKB1 337/4885KCNH2 3285/4885

“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.