SCHEMBL6405435

SCHEMBL6405435

CC(C)(CO)c1ccc2c(c1)O[C@H](C(F)(F)F)[C@H](C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
STING1 Q86WV6 1/20 0.35
PTGER2 P43116 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HIF1A Q16665 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6406518 1.00 LTB4R (0.36) LTB4RLTB4R2STING1PTGER2CNR1
SCHEMBL6405304 0.88 LTB4R (0.37) LTB4RLTB4R2PTGS1PTGS2
SCHEMBL6406400 0.88 LTB4R (0.37) LTB4RLTB4R2PTGS1PTGS2
SCHEMBL6408643 0.85 PTGS1 (0.41) LTB4RLTB4R2PTGS1PTGS2
SCHEMBL6408200 0.80 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL6405279 0.80 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL6407825 0.80 PTGS1 (0.44) LTB4RLTB4R2HIF1APTGS1PTGS2
SCHEMBL6410824 0.80 PTGS1 (0.44) LTB4RLTB4R2HIF1APTGS1PTGS2
SCHEMBL6406395 0.80 PTGS2 (0.38) PTGS1PTGS2
SCHEMBL6408713 0.80 PTGS2 (0.38) PTGS1PTGS2

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 LTB4R 25/4885LTB4R2 14/4885STING1 3778/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 LTB4R 49/4885LTB4R2 24/4885STING1 3001/4885

“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.