SCHEMBL3099597

SCHEMBL3099597

CCOC(=O)C(Cc1nnnn1CC)C(=O)N(c1ccc(F)cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL3090654 0.91 SLC5A1 (0.34) ALDH1A1HPGDMAPTTSHRSLC5A1
SCHEMBL3093131 0.90 ALDH1A1 (0.39) ALDH1A1HPGDGAA
SCHEMBL3103725 0.85 HSD11B1 (0.45) ALDH1A1MAPTTSHRSLC5A1SLC5A2
SCHEMBL3085976 0.79 ALDH1A1 (0.36) ALDH1A1HPGDLMNAGAATP53
SCHEMBL27787153 0.78 NPC1 (0.34) ALDH1A1HPGDMAPTTSHRNPC1
SCHEMBL3092777 0.77 KMT2A (0.35) ALDH1A1HPGDPOLBGAA
SCHEMBL3092787 0.77 KMT2A (0.35) ALDH1A1HPGDPOLBGAA
SCHEMBL3092292 0.76 MAPT (0.38) ALDH1A1HPGDMAPTNPC1LMNA
SCHEMBL3096518 0.74 MAPT (0.35) ALDH1A1HPGDMAPTNPC1LMNA
SCHEMBL3103474 0.74 ALOX15 (0.40) ALDH1A1HPGDMAPTLMNAALOX15

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 ALDH1A1 617/4885HPGD 1736/4885MAPT 2813/4885

“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.