SCHEMBL3092292

SCHEMBL3092292

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36

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 0.85 ALDH1A1 (0.40) KMT2ALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3096518 0.85 MAPT (0.35) MAPTKMT2AKDM4ELMNAALDH1A1
SCHEMBL3084857 0.81 CA12 (0.40) MAPTKMT2AKDM4ELMNAALDH1A1
SCHEMBL3101028 0.79 TSHR (0.41) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL3090654 0.77 SLC5A1 (0.34) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL3099597 0.76 ALDH1A1 (0.37) MAPTKDM4ELMNAALDH1A1NPSR1
SCHEMBL3096592 0.75 MCL1 (0.40) KMT2ALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL24833896 0.73 KMT2A (0.46) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL3079169 0.73 ALDH1A1 (0.40) KMT2ALMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL27810662 0.73 MAPT (0.47) MAPTKMT2AKDM4ELMNAALDH1A1

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 7 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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN 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 MAPT 2813/4885KMT2A 1948/4885KDM4E 3644/4885

“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.