SCHEMBL3085097

SCHEMBL3085097

CCN(C(=O)C(Cc1cnn(Cc2ccccc2Cl)c1)C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.37
KLKB1 P03952 1/20 0.37
HTT P42858 1/20 0.36
SCD5 Q86SK9 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3093281 0.92 ALDH1A1 (0.41) TP53LMNAHPGDPOLBKLKB1
SCHEMBL3097169 0.90 ALDH1A1 (0.40) TP53POLBHTTSCD5ALDH1A1
SCHEMBL3100513 0.89 HPGD (0.43) TP53LMNAHPGDATMKLKB1
SCHEMBL3093117 0.85 ALDH1A1 (0.42) TP53LMNAHPGDHTTMEN1
SCHEMBL3469954 0.85 ATM (0.46) LMNAHPGDPOLBATMKLKB1
SCHEMBL3103633 0.85 LMNA (0.46) TP53LMNAHTTRAB9AALDH1A1
SCHEMBL3084672 0.85 ALDH1A1 (0.40) LMNAALDH1A1
SCHEMBL3097702 0.84 GAA (0.41) TP53LMNAATMHTTMEN1
SCHEMBL3097720 0.84 POLB (0.36) TP53LMNAHPGDPOLBATM
SCHEMBL3097732 0.84 POLB (0.36) TP53LMNAHPGDPOLBATM

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 6 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
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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 TP53 3377/4885LMNA 3803/4885HPGD 1736/4885

“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.