SCHEMBL125558

SCHEMBL125558

Nc1nc(C(F)(F)F)ccc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
P2RX7 Q99572 1/20 0.34
MAT2A P31153 1/20 0.34
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTGS2 P35354 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TKT P29401 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL5263506 0.86 TKT (0.41) P2RX7TKT
SCHEMBL3772488 0.78 TRPV1 (0.40) ALDH1A1PTGS2HSP90AA1HSP90AB1KDM4E
SCHEMBL25812404 0.78 TRPV4 (0.32) P2RX7TRPV4LMNA
SCHEMBL29685815 0.78 TRPV4 (0.32) P2RX7TRPV4LMNA
SCHEMBL30971512 0.78 TRPV1 (0.40) ALDH1A1PTGS2HSP90AA1HSP90AB1KDM4E
SCHEMBL30695180 0.77 TRIM24 (0.41) P2RX7KDM4ETRPV4LMNA
SCHEMBL1085828 0.77 ALDH1A1 (0.41) P2RX7MAT2AALDH1A1KDM4EHSD17B10
SCHEMBL20771377 0.77 TRIM24 (0.41) P2RX7KDM4ETRPV4LMNA
SCHEMBL13515367 0.76 BACE1 (0.38) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL29956347 0.73 RRM2 (0.41) P2RX7MAT2AALDH1A1PTGS2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 WO disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT PIK3CD 1736/4885PIK3CA 1994/4885PIK3CB 2305/4885
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK PIK3CD 451/4885PIK3CA 241/4885PIK3CB 405/4885

“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.