SCHEMBL25009345

SCHEMBL25009345

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

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.70
ALDH1A1 P00352 4/20 0.70
HTT P42858 2/20 0.70
MAPT P10636 9/20 0.66
TP53 P04637 7/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
POLB P06746 4/20 0.65
KDM4E B2RXH2 3/20 0.63
HSD17B10 Q99714 3/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
ALOX15 P16050 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
SCHEMBL25009159 0.96 KDM4E (0.68) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25010452 0.94 TSHR (0.72) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25010103 0.92 KDM4E (0.67) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25010087 0.91 MAPT (0.64) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25009177 0.90 TSHR (0.70) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25009620 0.89 TSHR (0.75) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25009333 0.89 TSHR (0.75) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25010453 0.89 KDM4E (0.71) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25010441 0.87 TSHR (0.69) TSHRALDH1A1HTTMAPTTP53
SCHEMBL25011047 0.84 KDM4E (0.74) TSHRALDH1A1HTTMAPTTP53

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 TSHR 4634/4885ALDH1A1 4286/4885HTT 2142/4885

“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.