SCHEMBL3777002

SCHEMBL3777002

Cc1c(Cc2ccc(S(C)(=O)=O)cc2)c(=O)[nH]c2c(Cl)ccc(OS(=O)(=O)C(F)(F)F)c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
DAO P14920 1/20 0.32
PTGDR2 Q9Y5Y4 4/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
RORC P51449 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
SCHEMBL3782988 0.80 MBOAT4 (0.35) PTGS2PTGS1PTGDR2MAPK8MAPK9
SCHEMBL3782853 0.79 PTGS2 (0.41) PTGS2PTGS1DAOPTGDR2APOBEC3A
SCHEMBL3772935 0.79 TSHR (0.41) PTGS2PTGS1PTGDR2APOBEC3AAPOBEC3G
SCHEMBL3777859 0.75 PTGS1 (0.36) PTGS2PTGS1DAOPTGDR2MAPK8
SCHEMBL3404915 0.74 PTGS1 (0.38) PTGS2PTGS1
SCHEMBL3778570 0.70 ENPP2 (0.34) PTGS2PTGS1RORC
SCHEMBL3348846 0.70 TSHR (0.36) PTGS2PTGS1PTGDR2MAPK8
SCHEMBL3345036 0.69 PTGS2 (0.41) PTGS2PTGS1DAOPTGDR2
SCHEMBL3778212 0.69 RORC (0.38) PTGDR2MAPK8MAPK9MAPK10RORC
SCHEMBL3770752 0.68 OPRK1 (0.35)

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 PTGS2 821/4885PTGS1 584/4885DAO 3565/4885

“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.