SCHEMBL3103225

SCHEMBL3103225

C=CCC(C(=O)NS(=O)(=O)C=Cc1ccccc1)C(=O)N(C)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
GAA P10253 2/20 0.36
SIGMAR1 Q99720 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
TARS1 P26639 3/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
STAT3 P40763 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 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
SCHEMBL3103211 1.00 HTT (0.38) HTTGAASIGMAR1OPRM1OPRL1
SCHEMBL3092781 0.89 ALDH1A1 (0.44) HTTGAASIGMAR1ALDH1A1KMT2A
SCHEMBL3092770 0.89 ALDH1A1 (0.44) HTTGAASIGMAR1ALDH1A1KMT2A
SCHEMBL3097331 0.85 METAP2 (0.43) HTTSIGMAR1ALDH1A1KMT2APOLB
SCHEMBL3097338 0.85 METAP2 (0.43) HTTSIGMAR1ALDH1A1KMT2APOLB
SCHEMBL3091567 0.82 HTT (0.39) HTTGAAALDH1A1KMT2APOLB
SCHEMBL3091561 0.82 HTT (0.39) HTTGAAALDH1A1KMT2APOLB
SCHEMBL3097776 0.81 HTT (0.43) HTTGAAALDH1A1KMT2ATARS1
SCHEMBL3097783 0.81 HTT (0.43) HTTGAAALDH1A1KMT2ATARS1
SCHEMBL3092691 0.80 HTT (0.41) HTTGAAOPRM1OPRL1ALDH1A1

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 HTT 2793/4885GAA 272/4885SIGMAR1 2204/4885

“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.