SCHEMBL6747310

SCHEMBL6747310

CS(=O)(=O)c1cc(-c2ccccc2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.50
MIF P14174 1/20 0.50
ASIC3 Q9UHC3 1/20 0.50
BACE1 P56817 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 2/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
BPTF Q12830 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HSD17B10 Q99714 2/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL16217906 0.82 KMO (0.54) KMOMIFASIC3BACE1CYP1A2
SCHEMBL27892301 0.81 KMO (0.49) KMOMIFASIC3BACE1CYP1A2
SCHEMBL24774283 0.77 CCNT1 (0.36) KMOASIC3CYP1A2CYP2C19CYP2C9
SCHEMBL24773661 0.77 KMO (0.41) KMO
SCHEMBL284286 0.76 ASIC3 (0.71) KMOMIFASIC3CYP1A2CYP2C19
SCHEMBL9627581 0.76 LMNA (0.33) SMN1; SMN2LMNAL3MBTL1
SCHEMBL29406194 0.74 ASIC3 (0.68) KMOMIFASIC3CYP1A2CYP2C19
SCHEMBL27904874 0.74 ASIC3 (0.68) KMOMIFASIC3CYP1A2CYP2C19
SCHEMBL28218682 0.74 ASIC3 (0.68) KMOMIFASIC3CYP1A2CYP2C19
SCHEMBL5700203 0.73 PLAU (0.41) CYP1A2CYP2C19CYP2C9CYP3A4BPTF

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777412-B2 PYRIMIDIN-4-YLOXY)PHENYL)-3-METHOXYPROPENOATE DERIVATIVES SYNGENTA LIMITED (GB) 2004-08-17 US disclosed
US-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides CLOUGH JOHN MARTIN (GB) 2004-05-13 US disclosed
US-6613773-B2 Pyrimidinyloxyphenyl-3-alkoxypropenoates derivatives SYNGENTA LIMITED (GB) 2003-09-02 US disclosed
US-20030060626-A1 Fungicides SYNGENTA LIMITED (GB) 2003-03-27 US disclosed
CN-1036519-C Fungicides ICI PLC (GB) 1997-11-26 CN disclosed
EP-0468695-B1 Fungicides ZENECA LTD (GB) 1996-09-11 EP disclosed
CN-1060289-A Mycocide ICI PLC (GB) 1992-04-15 CN disclosed
EP-0468695-A1 Fungicides ZENECA LIMITED (GB) 1992-01-29 EP 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 (2 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-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides DDT, SQOR, TH KMO 37/4885MIF 4028/4885ASIC3 972/4885
US-20030060626-A1 Fungicides CYP51A1, CYP1A1, CYP1A2 KMO 215/4885MIF 3360/4885ASIC3 2231/4885

“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.