Sugi Predict

Sugi Predict / Compounds / SCHEMBL6410256

SCHEMBL6410256

SCHEMBL6410256

O=C(O)C1Cc2cc(-c3ccc(F)cc3)ccc2NC1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GRK2 P25098 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ BAD Q92934 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ RPA1 P27694 1/20 0.33
▸ HAO2 Q9NYQ3 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRM1 P35372 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
SCHEMBL6405647 1.00 APAF1 (0.34) APAF1POLBGRK2APOBEC3GKDM1A
SCHEMBL6405243 0.81 PNMT (0.40) BCL2L1GAAMAPT
SCHEMBL6406397 0.81 PNMT (0.40) KDM1AGAAMAPTHTTALDH1A1
SCHEMBL6404641 0.81 PNMT (0.40) GAAMAPTALDH1A1
SCHEMBL6409652 0.81 PNMT (0.40) POLBKDM1AGAAMAPT
SCHEMBL6405280 0.81 PNMT (0.40) KDM1AGAAMAPTHTTALDH1A1
SCHEMBL6409015 0.81 PNMT (0.40) POLBKDM1AGAAMAPT
SCHEMBL6407971 0.81 PNMT (0.40) BCL2L1GAAMAPT
SCHEMBL6405319 0.81 PNMT (0.40) GAAMAPTALDH1A1
SCHEMBL6405172 0.80 GAA (0.31) GAAMAPTHTT

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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 — — US disclosed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 — — US disclosed
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PHARMACIA CORPORATION 2003-12-18 — — 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 APAF1 4831/4885POLB 2633/4885GRK2 581/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 APAF1 4804/4885POLB 2793/4885GRK2 546/4885

“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.