SCHEMBL14840752

SCHEMBL14840752

FC(F)COc1cnccc1-c1cc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
BUB1 O43683 5/20 0.34
FFAR1 O14842 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MAOA P21397 1/20 0.33
CYP19A1 P11511 1/20 0.32
PTGES O14684 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
GRM4 Q14833 1/20 0.32
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
TDO2 P48775 1/20 0.31

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
SCHEMBL14849027 0.84 MAOB (0.41) BUB1CYP17A1MAOAF2RL3AAK1
SCHEMBL14840861 0.83 CYP1A2 (0.46) PIM1PIM2PTGESCYP1A2METAP2
SCHEMBL1025333 0.82 AGPAT2 (0.41) PTGESAAK1
SCHEMBL14840456 0.78 PIM1 (0.43) PIM1PIM2FFAR1CYP11B2MAOA
SCHEMBL14840893 0.77 PIM1 (0.42) PIM1PIM2FFAR1MAOACYP19A1
SCHEMBL12071096 0.76 PIM1 (0.42) PIM1PIM2FFAR1MAOA
SCHEMBL14841414 0.76 PIM1 (0.37) PIM1PIM2FFAR1MAOAGRM4
SCHEMBL1026375 0.74 SGMS2 (0.34) BUB1CYP17A1CYP1A2METAP2
SCHEMBL14840290 0.74 PIM1 (0.39) PIM1PIM2FFAR1CYP17A1MAOA
SCHEMBL1023499 0.72 AGPAT2 (0.43) AAK1

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-8796306-B2 Noxious arthropod controlling composition and heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-05 US disclosed
US-8796306-B2 Noxious arthropod controlling composition and heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-05 US disclosed
US-20130090353-A1 NOXIOUS ARTHROPOD CONTROL COMPOSITION AND HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-11 US disclosed
US-20130090353-A1 NOXIOUS ARTHROPOD CONTROL COMPOSITION AND HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-11 US disclosed
CN-103037694-A Harmful arthropod-controlling composition and heterocyclic compound SUMITOMO CHEMICAL CO 2013-04-10 CN 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-20130090353-A1 NOXIOUS ARTHROPOD CONTROL COMPOSITION AND HETEROCYCLIC COMPOUND C5, C3AR1, TRPA1 PIM1 4830/4885PIM2 4859/4885BUB1 3411/4885

“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.