Sugi Predict

Sugi Predict / Compounds / SCHEMBL6406355

SCHEMBL6406355

SCHEMBL6406355

O=C(O)C1Cc2cc(-c3ccc(Cl)s3)ccc2OC1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 4/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ FFAR4 Q5NUL3 5/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ GRIN2B Q13224 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
SCHEMBL6405461 1.00 HDAC2 (0.36) HDAC2HDAC1HDAC3HDAC6PGR
SCHEMBL6409748 0.84 PTGS2 (0.38) FFAR4FFAR1MEN1KMT2ATDP1
SCHEMBL6411077 0.84 PTGS2 (0.38) FFAR4FFAR1MEN1KMT2ATDP1
SCHEMBL6403861 0.81 HRH3 (0.42) FFAR4FFAR1MEN1KMT2ATDP1
SCHEMBL6405687 0.81 HRH3 (0.42) FFAR4FFAR1MEN1KMT2ATDP1
SCHEMBL6408656 0.81 SLC6A9 (0.37) HDAC2HDAC1HDAC3
SCHEMBL6407275 0.81 SLC6A9 (0.37) HDAC2HDAC1HDAC3
SCHEMBL6404285 0.81 PTGS2 (0.44) FFAR4MEN1POLBKMT2ATDP1
SCHEMBL6406723 0.81 PTGS2 (0.44) FFAR4MEN1POLBKMT2ATDP1
SCHEMBL6406077 0.80 FFAR4 (0.38) HDAC2HDAC1HDAC3FFAR4FFAR1

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 HDAC2 1781/4885HDAC1 2297/4885HDAC3 2999/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 HDAC2 1711/4885HDAC1 1755/4885HDAC3 2986/4885

“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.