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Sugi Predict / Compounds / SCHEMBL3100896

SCHEMBL3100896

SCHEMBL3100896

CCC(CC)N(C(=O)C(CC1CC1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ CTSL P07711 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPR183 P32249 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ PTGIR P43119 1/20 0.33

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
SCHEMBL3100884 1.00 KMT2A (0.38) KMT2APKMHTTALDH1A1OPRM1
SCHEMBL3087951 0.92 KMT2A (0.40) KMT2APKMHTTALDH1A1OPRM1
SCHEMBL3102909 0.88 KMT2A (0.39) KMT2APKMHTTALDH1A1OPRM1
SCHEMBL3086206 0.86 KMT2A (0.40) KMT2APKMHTTOPRM1OPRL1
SCHEMBL3086210 0.86 KMT2A (0.40) KMT2APKMHTTOPRM1OPRL1
SCHEMBL3097154 0.86 KMT2A (0.39) KMT2APKMHTTALDH1A1OPRM1
SCHEMBL3097136 0.86 KMT2A (0.39) KMT2APKMHTTALDH1A1OPRM1
SCHEMBL3100889 0.84 PKM (0.36) KMT2APKMHTTALDH1A1OPRM1
SCHEMBL15000109 0.81 HTT (0.42) KMT2AHTTALDH1A1RECQLGAA
SCHEMBL15000110 0.81 HTT (0.42) KMT2AHTTALDH1A1RECQLGAA

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.