SCHEMBL25329356

SCHEMBL25329356

C[S+]([O-])C1=NS(=O)(=O)c2cc(F)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7956891 0.83 ABCC8 (0.62) CA12CA1CA2CA9CA4
SCHEMBL31734749 0.75 ABCC8 (0.51) L3MBTL1CA12CA1CA2CA9
SCHEMBL7951033 0.75 CA12 (0.46) L3MBTL1CA12CA1CA2CA9
Water SCHEMBL7954563 0.74 CA12 (0.45) L3MBTL1CA12CA1CA2CA9
SCHEMBL25328097 0.74 L3MBTL1 (0.53) L3MBTL1CA12CA1CA2CA9
Water SCHEMBL8488269 0.72 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL31734745 0.70 CA12 (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL4256458 0.70 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL7944125 0.70 CA12 (0.42) L3MBTL1CA12CA1CA2CA9
Water SCHEMBL8584174 0.69 TAAR1 (0.49) L3MBTL1CA12CA1CA2CA9

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-20230219912-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-13 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-20230219912-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER TFAM, NDUFAF1, NDUFV1 L3MBTL1 3513/4885CA12 1740/4885CA1 3589/4885

“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.