SCHEMBL25009574

SCHEMBL25009574

CC(C)S(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 12/20 0.88
MAPT P10636 9/20 0.88
SMN1; SMN2 Q16637 7/20 0.88
POLB P06746 1/20 0.88
THRB P10828 1/20 0.58
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
VDR P11473 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL25009615 0.94 TP53 (1.00) TP53MAPTSMN1; SMN2POLBTHRB
SCHEMBL25010460 0.89 TP53 (0.91) TP53MAPTSMN1; SMN2POLBTHRB
SCHEMBL25009619 0.88 TP53 (1.00) TP53MAPTSMN1; SMN2POLBTHRB
SCHEMBL25009184 0.87 TP53 (0.78) TP53MAPTSMN1; SMN2POLBTHRB
SCHEMBL25009630 0.85 TP53 (1.00) TP53MAPTSMN1; SMN2POLBTHRB
SCHEMBL25009334 0.83 TP53 (0.79) TP53MAPTSMN1; SMN2POLBTHRB
SCHEMBL25009639 0.82 TP53 (1.00) TP53MAPTSMN1; SMN2POLBTHRB
SCHEMBL25011049 0.82 TP53 (0.85) TP53MAPTSMN1; SMN2POLBTHRB
SCHEMBL25010442 0.81 MAPT (0.77) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL25010067 0.79 TP53 (1.00) TP53MAPTSMN1; SMN2POLBKDM4E

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 TP53 376/4885MAPT 2111/4885SMN1; SMN2 2605/4885

“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.