SCHEMBL3099840

SCHEMBL3099840

CC(C)N(C(=O)C(Cc1cnn(C(C)C)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
GPR183 P32249 2/20 0.32
SCN9A Q15858 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADAM17 P78536 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA2 P17301 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 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
SCHEMBL3099830 1.00 KMT2A (0.35) KMT2APKMHTTPOLBGPR183
SCHEMBL3100104 0.90 MAPT (0.35) KMT2APKMHTTPOLBGPR183
SCHEMBL3100096 0.90 MAPT (0.35) KMT2APKMHTTPOLBGPR183
SCHEMBL3103813 0.87 KMT2A (0.42) KMT2APKMHTTPOLBGPR183
SCHEMBL3103817 0.87 KMT2A (0.42) KMT2APKMHTTPOLBGPR183
SCHEMBL3089280 0.86 NR1H4 (0.35) KMT2AHTTPOLBMAPTMEN1
SCHEMBL3089279 0.86 NR1H4 (0.35) KMT2AHTTPOLBMAPTMEN1
SCHEMBL3093154 0.83 OPRM1 (0.40) KMT2APKMHTTPOLBSCN9A
SCHEMBL3093147 0.83 OPRM1 (0.40) KMT2APKMHTTPOLBSCN9A
SCHEMBL3087953 0.83 HTT (0.36) HTTPOLBGAAALDH1A1

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 KMT2A 1948/4885PKM 1468/4885HTT 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.