Sugi Predict

Sugi Predict / Compounds / SCHEMBL6407849

SCHEMBL6407849

SCHEMBL6407849

CCN(CC)c1ccc2c(c1)OC(C(F)(F)F)C(C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SLC16A3 O15427 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ AURKA O14965 1/20 0.33
▸ POLB P06746 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
SCHEMBL6403423 1.00 CA12 (0.36) CA12CA9ALDH1A1SMN1; SMN2HPGD
SCHEMBL6407825 0.83 PTGS1 (0.44) ALDH1A1TP53PTGS1PTGS2
SCHEMBL6410824 0.83 PTGS1 (0.44) ALDH1A1TP53PTGS1PTGS2
SCHEMBL6408200 0.81 PTGS2 (0.41) MAPTLMNATP53MAOBGLA
SCHEMBL6405279 0.81 PTGS2 (0.41) MAPTLMNATP53MAOBGLA
SCHEMBL6405304 0.79 LTB4R (0.37) CA12CA9ALDH1A1SMN1; SMN2LMNA
SCHEMBL6406400 0.79 LTB4R (0.37) CA12CA9ALDH1A1SMN1; SMN2LMNA
SCHEMBL6404648 0.79 PTGS2 (0.41) POLBCYP2C19MAPK1PTGS1PTGS2
SCHEMBL6410823 0.79 ADRA2A (0.38) L3MBTL1PTGS2
SCHEMBL6409871 0.79 ADRA2A (0.38) L3MBTL1PTGS2

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 CA12 2822/4885CA9 4563/4885ALDH1A1 112/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 CA12 3472/4885CA9 4650/4885ALDH1A1 113/4885

“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.