SCHEMBL3103474

SCHEMBL3103474

CCOC(=O)C(Cc1nnnn1C)C(=O)N(c1cccc(C(F)(F)F)c1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
XPO1 O14980 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KLRK1 P26718 1/20 0.36
MICA Q29983 1/20 0.36
RAET1L Q5VY80 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TACR1 P25103 2/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3092586 0.90 ALDH1A1 (0.40) HPGDHTTSMN1; SMN2KLRK1MICA
SCHEMBL3090654 0.82 SLC5A1 (0.34) ALOX15HPGDHTTALDH1A1LMNA
SCHEMBL3093772 0.80 KAT6A (0.43) POLBALDH1A1LMNA
SCHEMBL3099597 0.74 ALDH1A1 (0.37) ALOX15HPGDPOLBALDH1A1LMNA
SCHEMBL3103725 0.71 HSD11B1 (0.45) SMN1; SMN2ALDH1A1LMNAMAPTALOX12
SCHEMBL3085976 0.70 ALDH1A1 (0.36) HPGDSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8600117 0.68 NPSR1 (0.49) ALOX15POLBSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3093723 0.67 MEN1 (0.37) NPSR1HDAC1HDAC8HDAC6
SCHEMBL6714650 0.66 HTR2A (0.55) HPGDSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL30589450 0.66 HTR2A (0.55) HPGDSMN1; SMN2ALDH1A1LMNAMAPT

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 ALOX15 1117/4885HPGD 1736/4885HTT 2793/4885

“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.