SCHEMBL3103371

SCHEMBL3103371

O=C(O)C(Cc1ccc2nc(-c3ccccc3)oc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
NAMPT P43490 1/20 0.53
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
VSIR Q9H7M9 2/20 0.47
GPR119 Q8TDV5 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL14999918 0.87 CASP3 (0.48) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL4417082 0.83 KDM4E (0.62) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL18387708 0.83 SMN1; SMN2 (0.50) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL3096924 0.81 SMN1; SMN2 (0.54) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL14626711 0.81 CASP3 (0.61) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL14591806 0.81 CASP3 (0.54) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL14999936 0.81 CASP3 (0.44) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL14740990 0.79 CASP3 (0.58) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL1905836 0.79 VSIR (0.53) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL24465538 0.79 HSD17B10 (0.46) CASP3SENP8SENP7SENP6NAMPT

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 CASP3 3474/4885SENP8 459/4885SENP7 664/4885

“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.