SCHEMBL19153404

SCHEMBL19153404

Cc1nccc2c1CCS(=O)(=O)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2A6 P11509 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL19153405 0.88 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL18237677 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL8533330 0.71 NOS3 (0.59) CYP2A6NOS3NOS1NOS2
SCHEMBL13021590 0.71 NOS3 (0.53) CYP2A6NOS3NOS1NOS2
SCHEMBL14510366 0.70 PDE3B (0.31) MEN1KMT2A
SCHEMBL18237548 0.70 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL21035410 0.69 NOS3 (0.57) CYP2A6NOS3NOS1NOS2
SCHEMBL25771762 0.69 NOS3 (0.57) CYP2A6NOS3NOS1NOS2
SCHEMBL25795844 0.69 NOS3 (0.57) CYP2A6NOS3NOS1NOS2
SCHEMBL14510379 0.69 PDE3B (0.33)

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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT MEN1 380/4885KMT2A 1005/4885CYP2A6 2675/4885

“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.