SCHEMBL3097653

SCHEMBL3097653

O=C(O)C(CCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ANPEP P15144 1/20 0.52
ERAP2 Q6P179 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 2/20 0.50
KCNH2 Q12809 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
CYP1A2 P05177 1/20 0.50
KCNJ1 P48048 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 2/20 0.49
GSK3B P49841 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL10531078 0.92 TSHR (0.53) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL2561037 0.88 TSHR (0.56) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL27847930 0.86 TSHR (0.54) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL7358695 0.86 GRM8 (0.56) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL4373315 0.86 TSHR (0.54) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL10697812 0.86 TSHR (0.54) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL8092467 0.86 GRM8 (0.56) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL27311205 0.86 TSHR (0.54) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL27725657 0.85 TSHR (0.53) TSHRANPEPERAP2ERAP1MEN1
SCHEMBL6700854 0.85 NPC1 (0.57) ANPEPERAP2ERAP1MEN1KMT2A

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 5 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-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

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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 TSHR 678/4885ANPEP 692/4885ERAP2 416/4885

“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.