SCHEMBL3088047

SCHEMBL3088047

O=C(O)C(Cc1ccncc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.52
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MDM2 Q00987 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
NAPRT Q6XQN6 1/20 0.44
CYP19A1 P11511 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM1 P11229 1/20 0.43
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42

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
SCHEMBL28997202 0.83 POLB (0.46) LDHACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL30877184 0.83 LDHA (0.68) LDHACYP1A2CYP2C19CYP2C9MDM2
SCHEMBL5174112 0.83 KDM6B (0.52) CYP3A4CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL5174874 0.83 KDM6B (0.52) CYP3A4CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL288024 0.81 SLC7A5 (0.68) CYP3A4CYP1A2ALDH1A1SLC6A3HSD17B10
SCHEMBL122533 0.81 SLC7A5 (0.68) CYP3A4CYP1A2ALDH1A1SLC6A3HSD17B10
SCHEMBL17771939 0.81 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL266479 0.81 TBXAS1 (0.59) CYP3A4CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL122532 0.81 SLC7A5 (0.68) CYP3A4CYP1A2ALDH1A1SLC6A3HSD17B10
SCHEMBL12939671 0.81 TBXAS1 (0.59) CYP3A4CYP1A2CYP2C19CYP2C9ALDH1A1

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 LDHA 723/4885CYP3A4 1945/4885CYP1A2 1772/4885

“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.