SCHEMBL3096592

SCHEMBL3096592

CC(C)CCC(C(=O)O)C(=O)N(c1ccc(F)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.36
FOLH1 Q04609 1/20 0.35
MLYCD O95822 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR3C2 P08235 1/20 0.34
MAPK1 P28482 1/20 0.33
GPR88 Q9GZN0 1/20 0.33

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
SCHEMBL3092037 0.87 ALDH1A1 (0.40) MCL1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3097495 0.85 ALDH1A1 (0.42) MCL1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3469906 0.85 HTT (0.37) ALDH1A1LMNATP53SMN1; SMN2HPGD
SCHEMBL3100516 0.81 CTSL (0.39) MCL1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3079169 0.80 ALDH1A1 (0.40) MCL1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3093425 0.79 CTSL (0.41) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL3469907 0.79 ALDH1A1 (0.43) MCL1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8655009 0.78 KMT2A (0.39) MCL1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL24833896 0.77 KMT2A (0.46) ALDH1A1LMNATP53SMN1; SMN2HPGD
SCHEMBL3088547 0.77 KMT2A (0.38) MCL1ALDH1A1LMNATP53SMN1; SMN2

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 MCL1 4465/4885ALDH1A1 617/4885LMNA 3803/4885

“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.