SCHEMBL3777859

SCHEMBL3777859

COC(=O)Cc1ccc(Cl)c2[nH]c(=O)c(Cc3ccc(S(C)(=O)=O)cc3)c(C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ACLY P53396 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK8 P45983 1/20 0.33
DAO P14920 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
SCHEMBL3772935 0.85 TSHR (0.41) PTGS1PTGS2APOBEC3AAPOBEC3GKDM4E
SCHEMBL3782853 0.81 PTGS2 (0.41) PTGS1PTGS2APOBEC3AAPOBEC3GPTGDR2
SCHEMBL3778130 0.80 TLR7 (0.37) KDM4EALDH1A1NPC1GAAHPGD
SCHEMBL3779506 0.77 TSHR (0.41) PTGS2APOBEC3AAPOBEC3GKDM4EALDH1A1
SCHEMBL3777002 0.75 PTGS2 (0.36) PTGS1PTGS2APOBEC3AAPOBEC3GPTGDR2
SCHEMBL3770786 0.75 RORC (0.36) PTGS2KDM4EALDH1A1NPC1GAA
SCHEMBL3780994 0.74 TSHR (0.42) PTGS1PTGS2ALDH1A1GAASMN1; SMN2
SCHEMBL3348846 0.74 TSHR (0.36) PTGS1PTGS2KDM4EALDH1A1NPC1
SCHEMBL3778704 0.73 LMNA (0.38) PTGS2KDM4EALDH1A1GAAHPGD
SCHEMBL3788176 0.73 PTGS2 (0.43) PTGS1PTGS2APOBEC3AAPOBEC3GKDM4E

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 PTGS1 584/4885PTGS2 821/4885APOBEC3A 4884/4885

“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.