Sugi Predict

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SCHEMBL6413291

SCHEMBL6413291

CCN(CC)S(=O)(=O)c1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ABCC9 O60706 1/20 0.37
▸ ABCC8 Q09428 1/20 0.37
▸ KCNJ11 Q14654 1/20 0.37
▸ KCNJ8 Q15842 1/20 0.37
▸ XBP1 P17861 1/20 0.37

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
SCHEMBL6407278 1.00 KMT2A (0.40) KMT2AHPGDSMN1; SMN2GAANPSR1
SCHEMBL6406242 0.88 TSHR (0.38) KMT2ASMN1; SMN2GAAALDH1A1LMNA
SCHEMBL6405430 0.88 TSHR (0.38) KMT2ASMN1; SMN2GAAALDH1A1LMNA
SCHEMBL6406276 0.84 PNMT (0.43) ALDH1A1LMNAL3MBTL1
SCHEMBL6403549 0.84 PNMT (0.43) ALDH1A1LMNAL3MBTL1
SCHEMBL6409784 0.82 PNMT (0.43) —
SCHEMBL6410836 0.82 PNMT (0.43) —
SCHEMBL6406375 0.81 CYP2D6 (0.40) KMT2AALDH1A1MEN1
SCHEMBL6406928 0.81 CYP2D6 (0.40) KMT2AALDH1A1MEN1
SCHEMBL6412298 0.80 ALDH1A1 (0.38) KMT2AHPGDSMN1; SMN2NPSR1ALDH1A1

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 KMT2A 2236/4885HPGD 22/4885SMN1; SMN2 1939/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 KMT2A 1999/4885HPGD 27/4885SMN1; SMN2 2327/4885

“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.