SCHEMBL633239

SCHEMBL633239

CS(=O)(=O)OCS(=O)(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.53
CA9 Q16790 5/20 0.53
CA1 P00915 4/20 0.53
AR P10275 3/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL249386 0.86 CA2 (0.63) CA2CA9CA1ARNPC1
Benzene SCHEMBL27447210 0.86 CA2 (0.63) CA2CA9CA1ARNPC1
Formaldehyde SCHEMBL28740532 0.82 CA2 (0.59) CA2CA9CA1ARNPC1
Ethyne SCHEMBL28196610 0.82 CA2 (0.59) CA2CA9CA1ARNPC1
SCHEMBL27571883 0.81 TSHR (0.60) CA2CA9CA1ARNPC1
SCHEMBL778120 0.80 CA2 (0.61) CA2CA9CA1ARNPC1
SCHEMBL9502200 0.79 CA2 (0.55) CA2CA9CA1ARNPC1
SCHEMBL14955286 0.78 CA2 (0.63) CA2CA9CA1ARTSHR
SCHEMBL14955045 0.78 CA2 (0.63) CA2CA9CA1TSHRALDH1A1
SCHEMBL28337254 0.77 KMT2A (0.55) CA2CA9CA1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
EP-2419426-A1 ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS Glaxo Group Limited (GB) 2012-02-22 EP 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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 CA2 2821/4885CA9 2926/4885CA1 4522/4885

“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.