SCHEMBL25009685

SCHEMBL25009685

COc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(S(=O)(=O)C(C)C)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
PIN1 Q13526 1/20 0.41
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39
AURKA O14965 1/20 0.39
SLC9A1 P19634 1/20 0.39
NR1I2 O75469 2/20 0.39
CYP1A2 P05177 1/20 0.39
VDR P11473 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
AHR P35869 1/20 0.39
NR1I3 Q14994 1/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL25009655 0.89 PIN1 (0.46) MAPK14PIN1TP53SMN1; SMN2AURKA
SCHEMBL23416147 0.76 MAPK14 (0.41) MAPK14PIN1TP53SMN1; SMN2NR1I2
SCHEMBL23416280 0.74 MAPK14 (0.40) MAPK14PIN1TP53SMN1; SMN2ALDH1A1
SCHEMBL25009200 0.74 MAPT (0.52) TP53SMN1; SMN2CYP1A2CYP2C9ALDH1A1
SCHEMBL25009392 0.72 ALDH1A1 (0.42) NR1I2CYP1A2CYP2C9ALDH1A1
SCHEMBL23736199 0.66 TP53 (0.65) TP53SMN1; SMN2AURKANR1I2CYP1A2
SCHEMBL31679074 0.66 TP53 (0.65) TP53SMN1; SMN2AURKANR1I2CYP1A2
SCHEMBL23758270 0.66 AURKA (0.55) PIN1TP53SMN1; SMN2AURKANR1I2
SCHEMBL25010505 0.65 ALDH1A1 (0.40) MAPK14TP53SMN1; SMN2CYP2C9ALDH1A1
SCHEMBL7795648 0.65 MAPK14 (0.67) MAPK14TP53

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-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-02-09 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-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY NFKBIA, IKBKB, NFKB2 MAPK14 1716/4885PIN1 2017/4885TP53 376/4885

“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.