SCHEMBL3097105

SCHEMBL3097105

CCN(C(=O)C(Cc1ccc(OC)nc1)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 9/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
AVPR1A P37288 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
KLKB1 P03952 1/20 0.41
AVPR2 P30518 1/20 0.39
NAMPT P43490 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
LDHA P00338 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL15000029 0.84 LDHA (0.43) OXTRTAS2R14KMT2AMEN1NPC1
SCHEMBL3103569 0.81 OXTR (0.39) OXTRTAS2R14ALDH1A1KMT2AMEN1
SCHEMBL3103560 0.81 OXTR (0.39) OXTRTAS2R14ALDH1A1KMT2AMEN1
SCHEMBL3089115 0.81 OXTR (0.46) OXTRTAS2R14ALDH1A1KMT2ALMNA
SCHEMBL3079461 0.79 LDHA (0.64) ALDH1A1GLATSHRPKMLDHA
SCHEMBL3080460 0.77 TP53 (0.47) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL3092117 0.76 ALDH1A1 (0.49) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL3091855 0.76 ALDH1A1 (0.49) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL3086016 0.76 PPARA (0.54)
SCHEMBL3091308 0.74 ALDH1A1 (0.43) ALDH1A1GLATSHRKMT2AMEN1

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 OXTR 1858/4885TAS2R14 1309/4885AVPR1A 17/4885

“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.