SCHEMBL3513993

SCHEMBL3513993

COC(=O)c1cc(Oc2cc(F)ccc2NS(=O)(=O)c2ccc(C)cc2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.57
CYP1A2 P05177 1/20 0.57
MRGPRX1 Q96LB2 2/20 0.57
FFAR4 Q5NUL3 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
CYP2C19 P33261 1/20 0.49
CCR2 P41597 1/20 0.48
TRIM24 O15164 1/20 0.47
BRPF1 P55201 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
METAP2 P50579 2/20 0.46
KCNA5 P22460 1/20 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
SCHEMBL3513548 0.92 CYP2C9 (0.53) CYP2C9CYP1A2MRGPRX1FFAR4LMNA
SCHEMBL3513862 0.90 CYP2C9 (0.71) CYP2C9CYP1A2MRGPRX1CYP2C19CCR2
SCHEMBL3512740 0.89 MAPT (0.52) CYP2C9CYP1A2MRGPRX1FFAR4LMNA
SCHEMBL31138223 0.88 FFAR4 (0.61) CYP2C9CYP1A2FFAR4LMNAMAPT
SCHEMBL3512980 0.88 CYP2C9 (0.72) CYP2C9CYP1A2MRGPRX1FFAR4LMNA
SCHEMBL16628393 0.88 FFAR4 (0.61) CYP2C9CYP1A2FFAR4LMNAMAPT
SCHEMBL3512974 0.86 CYP2C9 (0.64) CYP2C9CYP1A2FFAR4LMNAMAPT
SCHEMBL3514689 0.86 CYP2C9 (0.64) CYP2C9CYP1A2MRGPRX1FFAR4LMNA
SCHEMBL3513150 0.84 CYP2C9 (0.67) CYP2C9CYP1A2MRGPRX1FFAR4LMNA
SCHEMBL5955266 0.83 CYP2C9 (0.69) CYP2C9CYP1A2FFAR4LMNAMAPT

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 3 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
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

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 4221/4885MRGPRX1 4012/4885

“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.