SCHEMBL10893085

SCHEMBL10893085

O=S(=O)(O)c1ccc2c(c1)NCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 1/20 0.54
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HTR7 P34969 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL1439878 0.98 CA12 (0.53) CA12CA1CA2CA9GFER
Methane SCHEMBL8122180 0.98 CA12 (0.53) CA12CA1CA2CA9GFER
SCHEMBL1806454 0.90 GFER (0.59) CA12CA1CA2CA9GFER
SCHEMBL9236433 0.87 CA12 (0.71) CA12CA1CA2CA9GFER
SCHEMBL17785623 0.83 GFER (0.56) CA12CA1CA2CA9GFER
SCHEMBL28305388 0.83 CA1 (0.77) CA12CA1CA2CA9GFER
SCHEMBL1439875 0.83 CA12 (0.54) CA12CA1CA2CA9GFER
SCHEMBL2404788 0.83 CA12 (0.54) CA12CA1CA2CA9GFER
SCHEMBL28014273 0.78 HTR2C (0.58) CA12CA1CA2CA9GFER
Sulfuric Acid SCHEMBL28330425 0.77 ADRA2A (0.46) CA12CA1CA2CA9GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309059-B2 Reactive cyanine compounds PROMEGA CORPORATION (US) 2012-11-13 US disclosed
US-20110053162-A1 REACTIVE CYANINE COMPOUNDS PROMEGA CORPORATION (US) 2011-03-03 US disclosed
US-4622400-A SULFONATION, ALKALI FUSION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1986-11-11 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-20110053162-A1 REACTIVE CYANINE COMPOUNDS IK, CRYAA, POLL CA12 225/4885CA1 599/4885CA2 606/4885

“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.