Sugi Predict

Sugi Predict / Compounds / SCHEMBL6405552

SCHEMBL6405552

SCHEMBL6405552

O=C(Cc1ccccc1)c1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GRM1 Q13255 2/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ S1PR5 Q9H228 2/20 0.38
▸ PLAU P00749 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SRD5A2 P31213 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CTNNB1 P35222 2/20 0.35
▸ WNT3A P56704 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KLF5 Q13887 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP3 P42574 1/20 0.35

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
SCHEMBL6412054 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1KDM4EGRM1
SCHEMBL6405989 0.84 NPC1 (0.42) SMN1; SMN2RAB9ANPC1TDP1MAPT
SCHEMBL6405818 0.84 NPC1 (0.42) SMN1; SMN2RAB9ANPC1TDP1MAPT
SCHEMBL6407182 0.83 TDP1 (0.42) RAB9ATDP1ACHECTNNB1WNT3A
SCHEMBL6404620 0.83 TDP1 (0.42) RAB9ATDP1ACHECTNNB1WNT3A
SCHEMBL6405687 0.79 HRH3 (0.42) RAB9AKDM4ETDP1LMNAGAA
SCHEMBL6403861 0.79 HRH3 (0.42) RAB9AKDM4ETDP1LMNAGAA
SCHEMBL6407883 0.79 CYP4F2 (0.41) TDP1TP53POLBAPEX1RECQL
SCHEMBL6405633 0.79 CYP4F2 (0.41) TDP1TP53POLBAPEX1RECQL
SCHEMBL6404361 0.78 HTR6 (0.40) SMN1; SMN2KDM4EALDH1A1HPGDPOLB

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 4 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
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 — — EP 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 SMN1; SMN2 1939/4885RAB9A 4258/4885NPC1 3276/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 SMN1; SMN2 2327/4885RAB9A 4231/4885NPC1 3785/4885

“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.