Sugi Predict

Sugi Predict / Compounds / SCHEMBL6768677

SCHEMBL6768677

SCHEMBL6768677

Cc1ccc(-c2nccs2)cc1Cn1c(C(F)F)nn(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PORCN Q9H237 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ADRB2 P07550 2/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL6772800 0.83 TP53 (0.35) CHEK1TP53LMNAMAPTPDE10A
SCHEMBL6773977 0.82 MAPT (0.41) CHEK1PDE5ATP53LMNAMAPT
SCHEMBL6886472 0.81 TP53 (0.43) TP53LMNAMAPTHPGDGAA
SCHEMBL6813578 0.80 TP53 (0.37) TP53LMNAMAPTHPGDMEN1
SCHEMBL6772157 0.79 TP53 (0.38) TP53LMNAMAPTHPGDMEN1
SCHEMBL6768214 0.79 TP53 (0.34) TP53LMNAMAPTHPGDMEN1
SCHEMBL6768635 0.78 TP53 (0.41) TP53LMNAMAPTHPGDGAA
SCHEMBL6778682 0.78 GRIN1 (0.42) TP53LMNAMAPTHPGD
SCHEMBL6771980 0.77 LMNA (0.38) TP53LMNAMAPTHPGD
SCHEMBL6770423 0.76 TP53 (0.39) TP53LMNAMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 — — US disclosed
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 — — US disclosed
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 — — US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 — — 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-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 CHEK1 1760/4885PDE5A 2029/4885PORCN 4017/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 CHEK1 1760/4885PDE5A 2029/4885PORCN 4017/4885

“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.