SCHEMBL3091308

SCHEMBL3091308

CCN(C(=O)C(Cc1cnn(C)c1)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
OPRM1 P35372 4/20 0.40
HTT P42858 1/20 0.40
OPRK1 P41145 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PKM P14618 1/20 0.37
OPRD1 P41143 1/20 0.37
TP53 P04637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3091580 0.90 ALDH1A1 (0.43) ALDH1A1GLATSHROPRM1HTT
SCHEMBL3093117 0.87 ALDH1A1 (0.42) ALDH1A1GLATSHRHTTMEN1
SCHEMBL3097169 0.85 ALDH1A1 (0.40) ALDH1A1GLATSHRHTTTP53
SCHEMBL3097024 0.81 DRD4 (0.43) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL3090596 0.81 HTT (0.35) ALDH1A1OPRM1HTTOPRK1MEN1
SCHEMBL3103633 0.80 LMNA (0.46) ALDH1A1GLATSHRHTTLMNA
SCHEMBL3085097 0.80 TP53 (0.43) ALDH1A1GLATSHRHTTMEN1
SCHEMBL3470504 0.78 GRN (0.43) ALDH1A1TSHROPRM1HTTOPRK1
SCHEMBL3097702 0.78 GAA (0.41) ALDH1A1GLATSHRHTTMEN1
SCHEMBL3097597 0.78 KMT2A (0.43) ALDH1A1GLATSHRHTTKMT2A

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 ALDH1A1 617/4885GLA 1615/4885TSHR 678/4885

“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.