SCHEMBL2108588

SCHEMBL2108588

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1.NC(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALKBH2 Q6NS38 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37
FTO Q9C0B1 1/20 0.37
SLC22A12 Q96S37 3/20 0.37
USP2 O75604 1/20 0.36
USP8 P40818 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 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
SCHEMBL53993 0.91 MAPT (0.45) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL29508588 0.91 MAPT (0.45) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL30116869 0.91 MAPT (0.45) GAAMAPTALDH1A1KDM4ENPC1
Sulfuric Acid SCHEMBL21381522 0.90 MAPT (0.42) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL6829101 0.90 MAPT (0.44) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL8842964 0.81 ALDH1A1 (0.56) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL9749899 0.81 MAPT (0.46) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL8843178 0.80 ALDH1A1 (0.57) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL2973031 0.80 MAPT (0.44) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL7180471 0.80 ALDH1A1 (0.50) GAAMAPTALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158557-B2 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-20070054805-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054806-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054807-A1 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE GMBH (DE) 2007-03-08 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 (3 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-20070054806-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 GAA 530/4885MAPT 4112/4885ALDH1A1 1349/4885
US-20070054805-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 GAA 365/4885MAPT 3968/4885ALDH1A1 953/4885
US-20070054807-A1 Storage-stable formulations of sulfonamides STS, ARSA, SMS GAA 267/4885MAPT 2931/4885ALDH1A1 1393/4885

“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.