SCHEMBL3514217

SCHEMBL3514217

Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(CNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
METAP2 P50579 3/20 0.49
NPC1 O15118 1/20 0.49
TNF P01375 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
CYP19A1 P11511 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL14075376 0.95 CYP2C9 (0.57) CYP2C9CYP1A2CYP2C19KMT2AMEN1
SCHEMBL14075390 0.93 CYP2C9 (0.55) CYP2C9CYP1A2CYP2C19KMT2AMEN1
SCHEMBL14075388 0.93 CYP2C9 (0.55) CYP2C9CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3512212 0.92 CYP2C9 (0.76) CYP2C9CYP1A2CYP2C19METAP2CYP3A4
SCHEMBL3511902 0.92 CYP1A2 (0.54) CYP2C9CYP1A2CYP2C19KMT2AMEN1
SCHEMBL14075380 0.92 CYP2C9 (0.53) CYP2C9CYP1A2CYP2C19KMT2AMEN1
SCHEMBL14075394 0.92 CYP2C9 (0.78) CYP2C9CYP1A2CYP2C19KMT2AMEN1
SCHEMBL14075379 0.90 KMT2A (0.53) CYP2C9CYP1A2KMT2AMEN1CYP3A4
SCHEMBL14075383 0.89 CYP2C9 (0.50) CYP2C9CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3515119 0.87 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19METAP2NPC1

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
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.