SCHEMBL6792153

SCHEMBL6792153

C=CCSc1nn(S(=O)(=O)c2ccc(C)cc2)c2c1C(=O)C(C(=O)C(=O)O)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6790235 0.86 NR1H2 (0.35) ALDH1A1KMT2AMAPTGLANR1H2
SCHEMBL6799289 0.86 ALDH1A1 (0.43) ALDH1A1KMT2ANR1H2NR1H3ALOX5
SCHEMBL6793837 0.78 MAPT (0.39) ALDH1A1KMT2AMAPTGLAMEN1
SCHEMBL6791940 0.70 AURKA (0.40) ALDH1A1KMT2AKDM4EPKMMAPK1
SCHEMBL6795755 0.62 MAPT (0.43) ALDH1A1KMT2AMAPTGLANR1H2
SCHEMBL12005682 0.57 GAA (0.50) ALDH1A1KDM4EPOLBPKMMAPK1
SCHEMBL5535608 0.56 NR1H2 (0.42) ALDH1A1KMT2AMAPTGLANR1H2
SCHEMBL21084617 0.56 ACHE (0.41) ALDH1A1KMT2AALOX5KDM4EMEN1
SCHEMBL29080006 0.56 MCOLN3 (0.49) ALDH1A1KMT2AMEN1POLBPKM
SCHEMBL22993679 0.55 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTKDM4EMEN1

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 ALDH1A1 4449/4885KMT2A 1257/4885MAPT 3143/4885

“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.