SCHEMBL13111171

SCHEMBL13111171

CB1OCc2ccc(NS(=O)(=O)c3ccccc3CN)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA4 P22748 2/20 0.37
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NLRP3 Q96P20 1/20 0.34
HTR6 P50406 3/20 0.33
BRD4 O60885 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13111480 0.87 CA1 (0.53) CA12CA1CA2CA9CA4
Hydrochloric Acid SCHEMBL3473353 0.86 CA1 (0.52) CA12CA1CA2CA9CA4
SCHEMBL13111157 0.80 KMT2A (0.61) KMT2A
SCHEMBL10172234 0.80 HTR6 (0.50) KMT2AMEN1LMNAHTR6BRD4
SCHEMBL13111161 0.80 HTR6 (0.45) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL13111163 0.79 HTR6 (0.51) HTR6
SCHEMBL13111620 0.76 CA1 (0.41) CA12CA1CA2CA9CA4
SCHEMBL13108182 0.75 CYP17A1 (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL2405404 0.74 CA1 (0.51) CA12CA1CA2CA9CA4
SCHEMBL1819515 0.74 CA1 (0.52) CA12CA1CA2CA9CA4

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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD KMT2A 1841/4885CA12 564/4885CA1 4452/4885

“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.