SCHEMBL3778423

SCHEMBL3778423

COC(=O)COc1ccc(F)c2nc(OC(F)F)c(Cc3ccc(S(C)(=O)=O)cc3)c(C)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.41
TSHR P16473 4/20 0.35
RORC P51449 1/20 0.34
HTT P42858 2/20 0.33
PIK3CA P42336 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 0.32
P2RX7 Q99572 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3776409 0.92 PTGDR2 (0.42) PTGDR2TSHRRORCHTTGAA
SCHEMBL3782791 0.91 PTGDR2 (0.49) PTGDR2
SCHEMBL3776310 0.91 TSHR (0.38) PTGDR2TSHRRORCHTTGAA
SCHEMBL3785616 0.90 PTGDR2 (0.45) PTGDR2SMN1; SMN2P2RX7RAB9A
SCHEMBL3783447 0.90 PTGDR2 (0.43) PTGDR2
SCHEMBL3777981 0.87 TSHR (0.37) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL534798 0.87 PTGDR2 (0.41) PTGDR2HTTPI4KB
SCHEMBL2570601 0.86 PTGDR2 (0.40) PTGDR2
SCHEMBL534018 0.85 PTGDR2 (0.44) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL3772037 0.84 PTGDR2 (0.50) PTGDR2RORC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 WO 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 (1 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 PTGDR2 146/4885TSHR 73/4885RORC 30/4885

“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.