SCHEMBL3514014

SCHEMBL3514014

COc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)O)c2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C19 P33261 1/20 0.64
METAP2 P50579 3/20 0.60
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
RCE1 Q9Y256 1/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
CCR2 P41597 1/20 0.53
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
KCNA5 P22460 1/20 0.52

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
SCHEMBL3512984 0.92 CYP2C9 (0.90) CYP2C9CYP1A2CYP2C19METAP2LMNA
SCHEMBL3514689 0.91 CYP2C9 (0.64) CYP2C9CYP1A2CYP2C19METAP2ALDH1A1
SCHEMBL5955445 0.91 CYP2C9 (0.84) CYP2C9CYP1A2CYP2C19METAP2ALDH1A1
SCHEMBL12200967 0.88 CYP2C9 (0.76) CYP2C9CYP1A2CYP2C19METAP2ALDH1A1
SCHEMBL3513872 0.88 CYP2C9 (0.72) CYP2C9CYP1A2CYP2C19METAP2ALDH1A1
SCHEMBL3513665 0.87 CYP2C9 (0.82) CYP2C9CYP1A2CYP2C19METAP2ALDH1A1
SCHEMBL14075396 0.87 CYP2C9 (0.73) CYP2C9CYP1A2CYP2C19METAP2ALDH1A1
SCHEMBL3512295 0.86 CYP2C9 (0.70) CYP2C9CYP1A2CYP2C19METAP2ALDH1A1
SCHEMBL13034761 0.86 CYP2C9 (0.84) CYP2C9CYP1A2CYP2C19METAP2ALDH1A1
SCHEMBL5955297 0.86 FFAR4 (0.65) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E

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 4 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
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.