SCHEMBL6405425

SCHEMBL6405425

Cc1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
TDP1 Q9NUW8 1/20 0.40
RIPK1 Q13546 1/20 0.36
MAOB P27338 4/20 0.35
GLA P06280 1/20 0.34
AKR1B1 P15121 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
KDM4E B2RXH2 1/20 0.33
RAD52 P43351 1/20 0.33
ATM Q13315 1/20 0.33
PTGS1 P23219 1/20 0.33
RORC P51449 4/20 0.33

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
SCHEMBL6406365 1.00 PTGS2 (0.44) PTGS2TDP1RIPK1MAOBGLA
SCHEMBL6405279 0.89 PTGS2 (0.41) PTGS2MAOBGLAAKR1B1PTGS1
SCHEMBL6408200 0.89 PTGS2 (0.41) PTGS2MAOBGLAAKR1B1PTGS1
SCHEMBL6407269 0.84 HRH3 (0.43) PTGS2TDP1FFAR4KDM4EPTGS1
SCHEMBL6408794 0.84 HRH3 (0.43) PTGS2TDP1FFAR4KDM4EPTGS1
SCHEMBL6406723 0.84 PTGS2 (0.44) PTGS2TDP1RIPK1FFAR4PTGS1
SCHEMBL6404285 0.84 PTGS2 (0.44) PTGS2TDP1RIPK1FFAR4PTGS1
SCHEMBL6412199 0.84 GLS (0.38) TDP1AKR1B1FFAR4KDM4E
SCHEMBL6410893 0.84 GLS (0.38) TDP1AKR1B1FFAR4KDM4E
SCHEMBL6407106 0.84 PNMT (0.37) PTGS2TDP1FFAR4PTGS1

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 PTGS2 1/4885TDP1 1920/4885RIPK1 4662/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885TDP1 1068/4885RIPK1 4488/4885

“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.