SCHEMBL3511902

SCHEMBL3511902

COC(=O)c1cc(Oc2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TNF P01375 1/20 0.48
PAX8 Q06710 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP19A1 P11511 2/20 0.46

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
SCHEMBL3513136 0.93 CYP2C9 (0.62) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL3514217 0.92 CYP2C9 (0.66) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL3512878 0.87 CYP2C9 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL14075376 0.87 CYP2C9 (0.57) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL13073502 0.86 CYP2C9 (0.55) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL14075388 0.86 CYP2C9 (0.55) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL14075420 0.86 CA1 (0.53) CYP1A2CYP2C9ALDH1A1RAB9ANPC1
SCHEMBL14075387 0.85 CYP2C9 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL14075390 0.85 CYP2C9 (0.55) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL3512212 0.84 CYP2C9 (0.76) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1

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 5 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
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 CYP1A2 4221/4885CYP2C9 4489/4885CYP2C19 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.