SCHEMBL221548

SCHEMBL221548

CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.57
NAMPT P43490 1/20 0.44
STS P08842 1/20 0.42
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
LYPLA1 O75608 1/20 0.38

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
SCHEMBL7662902 0.79 TP53 (0.46) BRD4NAMPTKCNH2SCN5ASCN9A
SCHEMBL220577 0.75 NR1H2 (0.43) BRD4NAMPTSTSALDH1A1NR1H2
SCHEMBL4592709 0.75 NR1H2 (0.43) BRD4NAMPTSTSALDH1A1NR1H2
Tert-Butyl Formate SCHEMBL27733639 0.75 ACHE (0.40) BRD4KDM4EALDH1A1TDP1MMP2
SCHEMBL16528120 0.75 MAPK1 (0.46) BRD4KDM4EALDH1A1TDP1KMT2A
SCHEMBL31421325 0.74 BRD4 (0.46) BRD4NAMPTKCNH2SCN5ASCN9A
SCHEMBL29890980 0.73 ACHE (0.64) BRD4KDM4EPKMGPR119
SCHEMBL8825578 0.73 ACHE (0.64) BRD4KDM4EPKMGPR119
SCHEMBL17992511 0.73 BRD4 (1.00) BRD4KDM4EPKMALDH1A1
SCHEMBL29659287 0.72 KMT2A (0.57) TP53ALDH1A1KMT2A

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
US-8088925-B2 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
EP-1888567-B1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS (FR) 2009-12-16 EP disclosed
US-20080167346-A1 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2008-07-10 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-20080167346-A1 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents TFPI, SERPINC1, PLAT BRD4 2142/4885NAMPT 2700/4885STS 179/4885

“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.