SCHEMBL3100223

SCHEMBL3100223

CC(C)CC(C(=O)NS(=O)(=O)C=Cc1ccccc1)C(=O)N(Cc1cccc(F)c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ANPEP P15144 1/20 0.39
HTT P42858 1/20 0.39
ADAM17 P78536 2/20 0.39
TAS2R14 Q9NYV8 2/20 0.36
NR3C1 P04150 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL3100216 1.00 OPRM1 (0.41) OPRM1OPRL1MEN1KMT2AANPEP
SCHEMBL3085729 0.91 MEN1 (0.45) MEN1KMT2AHTTADAM17POLB
SCHEMBL3085727 0.91 MEN1 (0.45) MEN1KMT2AHTTADAM17POLB
SCHEMBL3100574 0.90 KMT2A (0.41) MEN1KMT2AHTTADAM17POLB
SCHEMBL3100568 0.90 KMT2A (0.41) MEN1KMT2AHTTADAM17POLB
SCHEMBL3088286 0.83 HTT (0.43) HTTADAM17POLB
SCHEMBL3088288 0.83 HTT (0.43) HTTADAM17POLB
SCHEMBL3088256 0.83 POLB (0.42) MEN1KMT2AHTTADAM17POLB
SCHEMBL3088252 0.83 POLB (0.42) MEN1KMT2AHTTADAM17POLB
SCHEMBL3093403 0.78 KMT2A (0.43) OPRM1OPRL1MEN1KMT2AHTT

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 OPRM1 2431/4885OPRL1 2040/4885MEN1 2509/4885

“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.