SCHEMBL6792602

SCHEMBL6792602

CS(=O)(=O)c1n[nH]c2c1-c1n[nH]c(C(=O)O)c1CC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALPL P05186 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
CLK1 P49759 1/20 0.43
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ATM Q13315 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
SCHEMBL6794161 0.88 CCNA2 (0.50) KMT2AKDM4EALPLHSD17B10MEN1
SCHEMBL6787955 0.83 AURKA (0.48) KMT2AKDM4EHSD17B10CCNA2CDK2
Hydrochloric Acid SCHEMBL6787558 0.76 CCNA2 (0.42) KMT2AKDM4EALPLHSD17B10MEN1
SCHEMBL6791255 0.67 LMNA (0.42) KMT2AKDM4EALPLHSD17B10MEN1
Hydrochloric Acid SCHEMBL6792455 0.65 CCNA2 (0.74) KMT2AKDM4EALPLHSD17B10MEN1
SCHEMBL6788762 0.60 MEN1 (0.52) KMT2AKDM4EALPLHSD17B10MEN1
SCHEMBL856872 0.60 KDM4E (1.00) KMT2AKDM4EALPLHSD17B10MEN1
SCHEMBL2614377 0.59 MEN1 (0.71) KMT2AKDM4EALPLHSD17B10MEN1
SCHEMBL6794407 0.59 MEN1 (0.61) KMT2AKDM4EALPLHSD17B10MEN1
SCHEMBL6793147 0.59 MEN1 (0.56) KMT2AKDM4EALPLHSD17B10MEN1

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 2 patents. 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 claimed
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 KMT2A 1257/4885KDM4E 2167/4885ALPL 3297/4885

“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.