SCHEMBL25009159

SCHEMBL25009159

CCCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
TSHR P16473 5/20 0.62
ALDH1A1 P00352 4/20 0.62
HTT P42858 2/20 0.62
TP53 P04637 11/20 0.61
MAPT P10636 10/20 0.61
HSD17B10 Q99714 4/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.59
POLB P06746 4/20 0.58
NPSR1 Q6W5P4 2/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL25010103 0.97 KDM4E (0.67) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25009345 0.96 TSHR (0.70) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25010087 0.95 MAPT (0.64) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25009177 0.94 TSHR (0.70) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25010453 0.93 KDM4E (0.71) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25010441 0.91 TSHR (0.69) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25010452 0.89 TSHR (0.72) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25011047 0.88 KDM4E (0.74) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25009150 0.88 MAPT (0.74) KDM4ETSHRALDH1A1HTTTP53
SCHEMBL25010450 0.87 TSHR (0.73) KDM4ETSHRALDH1A1HTTTP53

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 KDM4E 2556/4885TSHR 4634/4885ALDH1A1 4286/4885

“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.