SCHEMBL3773243

SCHEMBL3773243

CCc1[nH]c2c(F)ccc(O)c2c(=O)c1Cc1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.37
PTGS1 P23219 6/20 0.37
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
SCN9A Q15858 1/20 0.31
EPHX2 P34913 1/20 0.31
PDE4A P27815 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL3777868 0.83 TSHR (0.39) PTGS2KDM4EALDH1A1HPGDHTT
SCHEMBL3784913 0.82 PTGS2 (0.41) PTGS2PTGS1KDM4EMEN1KMT2A
SCHEMBL3788176 0.73 PTGS2 (0.43) PTGS2PTGS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3782626 0.70 TDP1 (0.38) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3777364 0.70 SMN1; SMN2 (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3777368 0.70 SMN1; SMN2 (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3785180 0.69 KDM4E (0.47) PTGS1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3776982 0.68 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3778049 0.68 TSHR (0.40) PTGS2PTGS1ALDH1A1HTTSMN1; SMN2
SCHEMBL3779431 0.67 PTGDR2 (0.37) PTGS2PTGS1KDM4EALDH1A1HPGD

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
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

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 584/4885KDM4E 4638/4885

“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.