SCHEMBL6790235

SCHEMBL6790235

CSc1nn(S(=O)(=O)c2ccc(C)cc2)c2c1C(=O)C(C(=O)C(=O)O)CC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 3/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR6 P50406 1/20 0.33
AKR1C3 P42330 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
SCHEMBL6799289 0.86 ALDH1A1 (0.43) NR1H2NR1H3ALDH1A1KMT2AGAA
SCHEMBL6792153 0.86 ALDH1A1 (0.32) NR1H2NR1H3ALDH1A1MAPTKMT2A
SCHEMBL6797707 0.63 ALDH1A1 (0.48) NR1H2NR1H3ALDH1A1MAPTGAA
SCHEMBL6793837 0.61 MAPT (0.39) ALDH1A1MAPTKMT2AGLASMN1; SMN2
SCHEMBL5535608 0.60 NR1H2 (0.42) NR1H2NR1H3ALDH1A1MAPTKMT2A
SCHEMBL21084617 0.60 ACHE (0.41) ALDH1A1KMT2ATSHRALOX5MEN1
SCHEMBL5526304 0.57 MAPT (0.42) NR1H2NR1H3ALDH1A1MAPTKMT2A
SCHEMBL5082404 0.57 MEN1 (0.61) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4015124 0.57 MEN1 (0.61) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL696505 0.57 ALDH1A1 (0.68) ALDH1A1GLAGAATSHRHPGD

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 NR1H2 2550/4885NR1H3 2746/4885ALDH1A1 4449/4885

“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.