SCHEMBL3096958

SCHEMBL3096958

CCOC(=O)C(C(=O)O)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
TP53 P04637 1/20 0.37

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
SCHEMBL1712912 0.98 TSHR (0.58) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL20589107 0.96 TSHR (0.57) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL11464617 0.96 TSHR (0.52) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL21834562 0.92 L3MBTL1 (0.51) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL334541 0.90 ALDH1A1 (0.59) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL31409193 0.88 ALDH1A1 (0.62) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL1433202 0.88 ALDH1A1 (0.62) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL18022794 0.88 ALDH1A1 (0.62) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL17793351 0.88 ALDH1A1 (0.62) TSHRALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL9451713 0.86 L3MBTL1 (0.58) TSHRALDH1A1NPSR1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 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 (3 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TSHR 304/4885ALDH1A1 2203/4885NPSR1 300/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TSHR 304/4885ALDH1A1 2203/4885NPSR1 300/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 TSHR 678/4885ALDH1A1 617/4885NPSR1 879/4885

“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.