SCHEMBL6793837

SCHEMBL6793837

C=CCSc1nn(S(=O)(=O)c2ccc(C)cc2)c2c1C(=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
POLB P06746 4/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PKM P14618 2/20 0.33
MMP2 P08253 1/20 0.33
HTT P42858 1/20 0.33
GLA P06280 1/20 0.32
HTR6 P50406 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL6795755 0.83 MAPT (0.43) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL6797707 0.82 ALDH1A1 (0.48) MAPTALDH1A1CA1PKMHTT
SCHEMBL6792153 0.78 ALDH1A1 (0.32) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL6791940 0.73 AURKA (0.40) KMT2AALDH1A1MAPK1HSD17B10PKM
SCHEMBL2575238 0.66 CA1 (0.57) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL6755012 0.61 ALDH1A1 (0.59) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL3213248 0.61 MMP2 (0.46) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL8108105 0.60 ALDH1A1 (0.46) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL14243938 0.59 MEN1 (0.52) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL12797057 0.59 POLB (0.53) MAPTPOLBKMT2AALDH1A1MEN1

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAPT 3143/4885POLB 2849/4885KMT2A 1257/4885

“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.