SCHEMBL3100563

SCHEMBL3100563

CCOC(=O)C(Cc1csc(-c2ccc(F)cc2F)n1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.36
HCRTR1 O43613 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.35
EIF4E P06730 1/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 3/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 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
SCHEMBL3092693 0.92 KDM4E (0.39) MAPTNPC1RAB9AHCRTR1SMN1; SMN2
SCHEMBL3100150 0.80 OPRM1 (0.33) MAPTNPC1RAB9AHTTHCRTR1
SCHEMBL3100159 0.80 OPRM1 (0.33) MAPTNPC1RAB9AHTTHCRTR1
SCHEMBL3093454 0.77 NPY1R (0.49) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL3470993 0.77 LMNA (0.50) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3091329 0.77 MAPT (0.46) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL3096763 0.75 LMNA (0.46) HCRTR1LMNAGAAKMT2ATSHR
SCHEMBL4904153 0.73 MAPT (0.56) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL3100451 0.71 ALDH1A1 (0.39) KMT2AALDH1A1
SCHEMBL3084077 0.71 CETP (0.43) ALDH1A1TP53TSHRL3MBTL1

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 MAPT 2813/4885NPC1 3306/4885RAB9A 826/4885

“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.