SCHEMBL3096751

SCHEMBL3096751

O=C(O)C(Cc1coc(-c2ccc(F)cc2)n1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
HPGD P15428 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TPH1 P17752 2/20 0.45
PDE4B Q07343 2/20 0.43
PPARA Q07869 1/20 0.41

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
SCHEMBL3097050 0.82 LMNA (0.50) LMNAGAATSHRKMT2AHPGD
SCHEMBL2222205 0.79 LMNA (0.59) LMNAGAATSHRKMT2AHPGD
SCHEMBL2224843 0.78 LMNA (0.59) LMNAGAATSHRKMT2AHPGD
SCHEMBL3096763 0.75 LMNA (0.46) LMNAGAATSHRKMT2AHPGD
SCHEMBL2107124 0.74 LMNA (0.52) LMNAGAATSHRKMT2AHPGD
SCHEMBL2223682 0.74 LMNA (0.52) LMNAGAATSHRKMT2AHPGD
SCHEMBL14294336 0.74 LMNA (0.52) LMNAGAATSHRKMT2AHPGD
SCHEMBL1543126 0.74 LMNA (0.52) LMNAGAATSHRKMT2AHPGD
SCHEMBL2222200 0.73 HDAC8 (0.50) LMNAGAATSHRKMT2AHPGD
SCHEMBL31754351 0.73 ALDH1A1 (0.51) LMNAHDAC1HDAC8HDAC6PPARA

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 LMNA 3803/4885GAA 272/4885TSHR 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.