Sugi Predict

Sugi Predict / Compounds / SCHEMBL6406397

SCHEMBL6406397

SCHEMBL6406397

O=C(O)C1Cc2cc(Cl)ccc2NC1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 3/20 0.40
▸ CDC25B P30305 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AHR P35869 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ PRKAB2 O43741 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAG3 Q9UGI9 1/20 0.32
▸ PRKAG2 Q9UGJ0 1/20 0.32
▸ PRKAB1 Q9Y478 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
SCHEMBL6405280 1.00 PNMT (0.40) PNMTCDC25BMAPK1AHRGAA
SCHEMBL6407971 0.84 PNMT (0.40) PNMTGAAMAPT
SCHEMBL6404641 0.84 PNMT (0.40) PNMTGAAMAPTKDM4EALDH1A1
SCHEMBL6405243 0.84 PNMT (0.40) PNMTGAAMAPT
SCHEMBL6405319 0.84 PNMT (0.40) PNMTGAAMAPTKDM4EALDH1A1
SCHEMBL6409015 0.84 PNMT (0.40) PNMTGAAMAPTSRD5A1SRD5A2
SCHEMBL6409652 0.84 PNMT (0.40) PNMTGAAMAPTSRD5A1SRD5A2
SCHEMBL6405219 0.81 PTGS1 (0.37) PNMTGAAMAPTPTGS1PTGS2
SCHEMBL6406123 0.81 PNMT (0.43) PNMTGAAMAPTPTGS2KDM1A
SCHEMBL6409160 0.81 BCL2L1 (0.45) GAAPTGS1PTGS2ALDH1A1

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 PNMT 2278/4885CDC25B 1201/4885MAPK1 2891/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PNMT 1854/4885CDC25B 1223/4885MAPK1 1583/4885

“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.