SCHEMBL8039484

SCHEMBL8039484

O=C(O)C(CCCc1cccc(S(=O)(=O)Nc2ccccc2)c1)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.58
NAMPT P43490 4/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC1 Q13547 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
GRIK1 P39086 1/20 0.45

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
SCHEMBL8037792 0.93 HTR6 (0.51) HTR6NAMPTHDAC8HDAC1MEN1
SCHEMBL1856441 0.91 HTR6 (0.53) HTR6NAMPTHDAC8HDAC1MEN1
SCHEMBL1860527 0.89 HDAC1 (0.54) HTR6HDAC8HDAC1MEN1KMT2A
SCHEMBL1855593 0.88 HTR6 (0.54) HTR6MEN1KMT2AMMP1MMP2
SCHEMBL1856429 0.87 POLB (0.51) HTR6MMP1MMP2MMP3MMP9
SCHEMBL1861591 0.86 HDAC2 (0.52) NAMPTHDAC8HDAC1MMP1MMP2
SCHEMBL1857972 0.86 NPC1 (0.49) HTR6NAMPTHDAC8HDAC1HDAC2
SCHEMBL12630239 0.84 NAMPT (0.45) HTR6NAMPTHDAC8HDAC1MEN1
SCHEMBL1858150 0.83 LIMK2 (0.54) HDAC8HDAC1MEN1KMT2ALIMK1
SCHEMBL1861394 0.80 HTR6 (0.44) HTR6NAMPTHDAC8HDAC1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS HTR6 3261/4885NAMPT 2058/4885HDAC8 2367/4885

“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.