SCHEMBL3516509

SCHEMBL3516509

CCCOc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)OC)c2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.46
FFAR4 Q5NUL3 2/20 0.45
KCNA5 P22460 1/20 0.45
LMNA P02545 5/20 0.44
WDR5 P61964 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.43
HTT P42858 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RCE1 Q9Y256 1/20 0.41
TRIM24 O15164 1/20 0.41

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
SCHEMBL3512721 0.95 CYP2C9 (0.52) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3514040 0.93 CYP2C9 (0.55) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3511872 0.92 CYP2C9 (0.57) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3515319 0.88 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3512147 0.88 CYP2C9 (0.52) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3514343 0.87 CYP2C9 (0.55) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3515427 0.86 CYP2C9 (0.58) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3515457 0.86 CYP2C9 (0.51) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3511656 0.86 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3514118 0.86 CYP2C9 (0.64) CYP2C9CYP1A2CYP2C19FFAR4KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
EP-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 EP disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 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-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM C1QBP, CD4, CHRM4 CYP2C9 4489/4885CYP1A2 4221/4885CYP2C19 4195/4885

“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.