SCHEMBL3093723

SCHEMBL3093723

CC(C)N(C(=O)C(Cc1cnn(C(C)C)c1)C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
RORC P51449 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ACHE P22303 1/20 0.35
ELANE P08246 1/20 0.35
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
NR1I2 O75469 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL3089280 0.84 NR1H4 (0.35) MEN1KMT2ARORCUSP2CYP3A4
SCHEMBL3089279 0.84 NR1H4 (0.35) MEN1KMT2ARORCUSP2CYP3A4
SCHEMBL3092586 0.76 ALDH1A1 (0.40) MEN1KMT2ARORCPPARGPPARA
SCHEMBL3097269 0.74 HTR2A (0.47) HDAC6PPARGPPARAUSP2CYP3A4
SCHEMBL8600117 0.68 NPSR1 (0.49) MEN1KMT2AHDAC8RORCNPSR1
SCHEMBL3085357 0.68 MAPT (0.38) MEN1KMT2ANPSR1
SCHEMBL3103474 0.67 ALOX15 (0.40) HDAC1HDAC8HDAC6NPSR1
SCHEMBL11566296 0.67 NPSR1 (0.48) MEN1KMT2AHDAC8RORCOPRM1
SCHEMBL3084422 0.66 CREBBP (0.47) CYP3A4CYP1A2CYP2C9
SCHEMBL3470487 0.64 HTR2A (0.60) MEN1KMT2APPARGPPARAUSP2

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 MEN1 2509/4885KMT2A 1948/4885HDAC1 1764/4885

“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.