SCHEMBL6799289

SCHEMBL6799289

Cc1ccc(S(=O)(=O)n2nc(SCc3ccccc3)c3c2CCC(C(=O)C(=O)O)C3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NLRP3 Q96P20 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
FKBP1A P62942 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PKM P14618 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ALOX5 P09917 1/20 0.35
GFER P55789 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34

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) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL6792153 0.86 ALDH1A1 (0.32) ALDH1A1HPGDMEN1KMT2ANR1H2
SCHEMBL6797707 0.80 ALDH1A1 (0.48) ALDH1A1NLRP3SMN1; SMN2TP53HPGD
SCHEMBL6792774 0.71 AURKA (0.43) ALDH1A1NLRP3SMN1; SMN2TP53HPGD
SCHEMBL6793837 0.63 MAPT (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL6795755 0.62 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL11058731 0.60 ALDH1A1 (0.48) ALDH1A1NLRP3SMN1; SMN2TP53HPGD
SCHEMBL10795112 0.59 MEN1 (0.56) ALDH1A1NLRP3SMN1; SMN2MEN1KMT2A
SCHEMBL27537313 0.57 FKBP1A (0.60) ALDH1A1HPGDFKBP1AMEN1KMT2A
SCHEMBL5535608 0.56 NR1H2 (0.42) ALDH1A1HPGDMEN1KMT2ANR1H2

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 4449/4885NLRP3 2910/4885SMN1; SMN2 4333/4885

“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.