SCHEMBL3513150

SCHEMBL3513150

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.67
CYP1A2 P05177 1/20 0.67
FFAR4 Q5NUL3 2/20 0.61
CYP2C19 P33261 1/20 0.58
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
METAP2 P50579 3/20 0.51
GFER P55789 2/20 0.50
GAA P10253 1/20 0.50
KCNA5 P22460 1/20 0.50
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
MRGPRX1 Q96LB2 1/20 0.47

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
SCHEMBL3512980 0.96 CYP2C9 (0.72) CYP2C9CYP1A2FFAR4CYP2C19LMNA
SCHEMBL3514192 0.92 CYP2C9 (0.61) CYP2C9CYP1A2FFAR4CYP2C19LMNA
SCHEMBL5955266 0.92 CYP2C9 (0.69) CYP2C9CYP1A2FFAR4CYP2C19LMNA
SCHEMBL13034760 0.91 CYP2C9 (0.68) CYP2C9CYP1A2FFAR4CYP2C19LMNA
SCHEMBL3514410 0.91 CYP2C9 (0.65) CYP2C9CYP1A2FFAR4CYP2C19LMNA
SCHEMBL3513665 0.90 CYP2C9 (0.82) CYP2C9CYP1A2FFAR4CYP2C19ALDH1A1
SCHEMBL13073656 0.90 CYP2C9 (0.59) CYP2C9CYP1A2FFAR4CYP2C19LMNA
SCHEMBL3514007 0.90 CYP2C9 (0.64) CYP2C9CYP1A2FFAR4CYP2C19LMNA
SCHEMBL3514118 0.90 CYP2C9 (0.64) CYP2C9CYP1A2FFAR4CYP2C19LMNA
SCHEMBL3514964 0.90 CYP2C9 (0.64) CYP2C9CYP1A2FFAR4CYP2C19LMNA

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 4221/4885FFAR4 2485/4885

“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.