SCHEMBL3513845

SCHEMBL3513845

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(CO)c2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.55
CYP1A2 P05177 1/20 0.55
LMNA P02545 5/20 0.54
TDP1 Q9NUW8 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2C19 P33261 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
PKM P14618 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KCNA5 P22460 1/20 0.44
HTT P42858 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
METAP2 P50579 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3511540 0.91 CYP2C9 (0.60) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3512989 0.89 CYP2C9 (0.58) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3512305 0.89 CYP2C9 (0.62) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3511905 0.88 CYP2C9 (0.58) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3515546 0.87 LMNA (0.57) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3513265 0.87 CYP2C9 (0.56) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3515375 0.87 CYP2C9 (0.56) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3511650 0.87 CYP2C9 (0.53) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3512151 0.86 CYP2C9 (0.52) CYP2C9CYP1A2LMNATDP1MAPT
SCHEMBL3514562 0.86 CYP2C9 (0.60) CYP2C9CYP1A2LMNATDP1MAPT

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 CYP2C9 4489/4885CYP1A2 4221/4885LMNA 2367/4885

“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.