SCHEMBL25010067

SCHEMBL25010067

CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 1.00
MAPT P10636 8/20 1.00
KDM4E B2RXH2 3/20 0.88
ALDH1A1 P00352 5/20 0.78
HSD17B10 Q99714 4/20 0.78
HPGD P15428 4/20 0.78
TSHR P16473 3/20 0.78
HTT P42858 2/20 0.78
LMNA P02545 1/20 0.78
POLB P06746 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GAA P10253 1/20 0.63
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL25010433 0.94 KDM4E (1.00) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL25009355 0.89 KDM4E (0.90) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL25010436 0.89 KDM4E (0.90) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL25011046 0.88 KDM4E (0.88) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL22857115 0.88 HSD17B10 (1.00) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL25010121 0.88 ALDH1A1 (1.00) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL25010142 0.87 MAPT (0.77) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL25010442 0.87 MAPT (0.77) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL25009150 0.85 MAPT (0.74) TP53MAPTKDM4EALDH1A1HSD17B10
SCHEMBL25009184 0.81 TP53 (0.78) TP53MAPTKDM4EALDH1A1HSD17B10

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 2111/4885KDM4E 2556/4885

“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.