SCHEMBL3513872

SCHEMBL3513872

CCOc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)O)c2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
RCE1 Q9Y256 1/20 0.59
METAP2 P50579 3/20 0.57
WDR5 P61964 1/20 0.52
MCL1 Q07820 1/20 0.51
BCL2A1 Q16548 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.50
CCR2 P41597 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNA5 P22460 1/20 0.50

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
SCHEMBL3512295 0.92 CYP2C9 (0.70) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL3516486 0.91 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL3513860 0.90 CYP2C9 (0.67) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL3512984 0.89 CYP2C9 (0.90) CYP2C9CYP1A2CYP2C19METAP2MCL1
SCHEMBL3511660 0.89 CYP2C9 (0.69) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL3514014 0.88 CYP2C9 (0.77) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL3515432 0.88 CYP2C9 (0.74) CYP2C9CYP1A2CYP2C19METAP2MCL1
SCHEMBL3513537 0.87 CYP2C9 (0.79) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL3513665 0.84 CYP2C9 (0.82) CYP2C9CYP1A2CYP2C19ALDH1A1METAP2
SCHEMBL3512690 0.84 CYP2C9 (0.74) 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.