SCHEMBL3514801

SCHEMBL3514801

COC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
RXFP1 Q9HBX9 1/20 0.51
KCNA5 P22460 2/20 0.51
FFAR4 Q5NUL3 1/20 0.49
LMNA P02545 5/20 0.48
MCL1 Q07820 1/20 0.47
BCL2A1 Q16548 1/20 0.47
METAP2 P50579 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.45

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
SCHEMBL3514241 0.93 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL3514591 0.92 CYP2C9 (0.75) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL13073652 0.91 CYP2C9 (0.57) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL3514437 0.90 CYP2C9 (0.56) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL3513395 0.88 CYP2C9 (0.66) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL3513620 0.87 CYP2C9 (0.60) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL3512980 0.85 CYP2C9 (0.72) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL3513998 0.85 CYP2C9 (0.58) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL3513136 0.84 CYP2C9 (0.62) CYP2C9CYP1A2CYP2C19KCNA5FFAR4
SCHEMBL3514421 0.84 CYP2C9 (0.62) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53

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.