SCHEMBL1097461

SCHEMBL1097461

CCCCOC(=O)[C@@H](N)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.50
ALDH1A1 P00352 1/20 0.50
DPP7 Q9UHL4 2/20 0.47
SLC15A1 P46059 1/20 0.47
ATM Q13315 1/20 0.47
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
METAP1 P53582 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4957809 1.00 NOD1 (0.50) NOD1ALDH1A1DPP7SLC15A1ATM
SCHEMBL28396406 0.94 NOD1 (0.56) NOD1ALDH1A1DPP7SLC15A1SLC1A3
Phosphoric Acid SCHEMBL10939494 0.93 NOD1 (0.46) NOD1ALDH1A1DPP7SLC15A1ATM
Sulfuric Acid SCHEMBL10939430 0.93 TP53 (0.47) NOD1ALDH1A1DPP7SLC15A1ATM
SCHEMBL8601166 0.92 NOD1 (0.55) NOD1ALDH1A1DPP7ATMSLC1A2
SCHEMBL31029306 0.92 NOD1 (0.58) NOD1ALDH1A1DPP7SLC15A1TSHR
SCHEMBL8666006 0.92 NOD1 (0.58) NOD1ALDH1A1DPP7SLC15A1TSHR
SCHEMBL29626989 0.92 NOD1 (0.58) NOD1ALDH1A1DPP7SLC15A1TSHR
SCHEMBL29255929 0.92 NOD1 (0.58) NOD1ALDH1A1DPP7SLC15A1TSHR
SCHEMBL28927779 0.92 NOD1 (0.58) NOD1ALDH1A1DPP7SLC15A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153365-B2 Oligonucleotide analogues EXIQON A/S (DK) 2012-04-10 US disclosed
US-8034909-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-10-11 US disclosed
US-20110245327-A1 Oligonucleotide Analogues EXIQON A/S (DK) 2011-10-06 US disclosed
EP-2341057-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
EP-2341058-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-09-18 US disclosed
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP disclosed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 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-20110245327-A1 Oligonucleotide Analogues POLRMT, POLM, POLN NOD1 461/4885ALDH1A1 3811/4885DPP7 898/4885
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, SLC16A1, FH NOD1 2112/4885ALDH1A1 320/4885DPP7 1271/4885

“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.