SCHEMBL3079152

SCHEMBL3079152

CCN(C(=O)C(Cc1ccc([N+](=O)[O-])c(OC)c1)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 2/20 0.39
ALOX15 P16050 1/20 0.39
TRPM8 Q7Z2W7 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
SCHEMBL3103235 0.92 ALDH1A1 (0.52) LDHAALDH1A1SMN1; SMN2TSHRCYP3A4
SCHEMBL3079461 0.86 LDHA (0.64) LDHAALDH1A1TSHRCHRM5CHRM1
SCHEMBL3097574 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRLMNAMAPT
SCHEMBL3085743 0.84 RAPGEF3 (0.42) ALDH1A1PKMKMT2AMMP1
SCHEMBL3092146 0.83 PKM (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3092141 0.83 PKM (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3103823 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPTTRPM8
SCHEMBL3078912 0.79 HPGD (0.41) ALDH1A1SMN1; SMN2TSHRCYP1A2CYP3A4
SCHEMBL3096395 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRLMNAMAPT
SCHEMBL3089238 0.76 ALDH1A1 (0.43) ALDH1A1NPSR1PKMMEN1KMT2A

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 723/4885ALDH1A1 617/4885SMN1; SMN2 2844/4885

“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.