SCHEMBL1816735

SCHEMBL1816735

COC(=O)c1cc(OC)ccc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CDK1 P06493 1/20 0.48
NR4A2 P43354 1/20 0.48
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
PLA2G2A P14555 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA9 Q16790 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL10850352 0.98 KDM4E (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28751063 0.90 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1816360 0.85 KDM4E (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22827959 0.85 CA2 (0.61) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17363911 0.85 CA2 (0.61) KDM4ECDK1CA2CA1GAA
SCHEMBL1819737 0.85 SMN1; SMN2 (0.54) KDM4ECA2CA1GAAHSD17B10
SCHEMBL10850340 0.84 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27397618 0.81 KDM4E (0.54) KDM4ECYP1A2CYP2C19CDK1CA2
SCHEMBL28751067 0.81 MAPT (0.46) KDM4ECYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL5597489 0.80 KDM4E (0.53) KDM4ECYP1A2CYP2C19CDK1CA2

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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD KDM4E 2557/4885CYP1A2 3504/4885CYP2D6 870/4885

“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.