SCHEMBL1677246

SCHEMBL1677246

CC(C)S(=O)(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.64
GRIA2 P42262 6/20 0.51
KCNH2 Q12809 4/20 0.50
KIF11 P52732 1/20 0.48
AAK1 Q2M2I8 2/20 0.47
SYK P43405 1/20 0.47
MGLL Q99685 1/20 0.47
ACLY P53396 1/20 0.47
MCL1 Q07820 1/20 0.47
GRIA4 P48058 1/20 0.46
PFKFB3 Q16875 1/20 0.46
CA2 P00918 1/20 0.45
FDPS P14324 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL6513331 0.84 GRIA4 (0.54) KDM1AKIF11ACLYMCL1GRIA4
SCHEMBL4099446 0.83 KEAP1 (0.58) KDM1AGRIA4CA2CA9
SCHEMBL13977422 0.82 KDM1A (0.71) KDM1AGRIA2KCNH2KIF11AAK1
SCHEMBL4952483 0.80 KDM1A (0.55) KDM1AGRIA2KCNH2AAK1MCL1
SCHEMBL21092440 0.80 KIF11 (0.69) KDM1AKIF11
SCHEMBL526506 0.79 KDM1A (1.00) KDM1AGRIA2KCNH2
SCHEMBL526505 0.79 KDM1A (1.00) KDM1AGRIA2KCNH2
SCHEMBL15136917 0.79 KDM1A (1.00) KDM1AGRIA2KCNH2
SCHEMBL13468554 0.79 HPGD (0.51) KDM1ASYK
Hydrochloric Acid SCHEMBL527300 0.78 KDM1A (0.98) KDM1AGRIA2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE KDM1A 542/4885GRIA2 3938/4885KCNH2 2900/4885

“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.