Sugi Predict

Sugi Predict / Compounds / SCHEMBL6405989

SCHEMBL6405989

SCHEMBL6405989

O=C(c1ccccc1)c1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SRD5A2 P31213 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ POLB P06746 2/20 0.34

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
SCHEMBL6405818 1.00 NPC1 (0.42) NPC1RAB9ATDP1ALDH1A1AKR1C3
SCHEMBL6405916 0.92 TDP1 (0.41) NPC1RAB9ATDP1ALDH1A1AKR1C3
SCHEMBL6404967 0.92 TDP1 (0.41) NPC1RAB9ATDP1ALDH1A1AKR1C3
SCHEMBL6410845 0.91 TDP1 (0.40) NPC1RAB9ATDP1ALDH1A1AKR1C3
SCHEMBL6409718 0.91 TDP1 (0.40) NPC1RAB9ATDP1ALDH1A1AKR1C3
SCHEMBL6412054 0.84 SMN1; SMN2 (0.48) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL6405552 0.84 SMN1; SMN2 (0.48) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL6403861 0.82 HRH3 (0.42) RAB9ATDP1FFAR4
SCHEMBL6405687 0.82 HRH3 (0.42) RAB9ATDP1FFAR4
SCHEMBL6412064 0.82 HPGD (0.40) MAPTSMN1; SMN2HPGDTSHR

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 NPC1 3276/4885RAB9A 4258/4885TDP1 1920/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 NPC1 3785/4885RAB9A 4231/4885TDP1 1068/4885

“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.