SCHEMBL3779875

SCHEMBL3779875

CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(C(=O)N2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.58
HPGD P15428 7/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 3/20 0.35
TRPV3 Q8NET8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ATM Q13315 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL3772926 0.92 PTGDR2 (0.68) PTGDR2HPGDHSD17B10PARP1TRPV3
SCHEMBL3778394 0.92 PTGDR2 (0.49) PTGDR2HPGDHSD17B10PARP1ALDH1A1
SCHEMBL534558 0.89 PTGDR2 (0.61) PTGDR2ALDH1A1KMT2A
SCHEMBL3776298 0.88 PTGDR2 (0.48) PTGDR2HPGDHSD17B10L3MBTL1
SCHEMBL3772517 0.88 PTGDR2 (0.66) PTGDR2HPGDALDH1A1KMT2AMEN1
SCHEMBL3782624 0.87 PTGDR2 (0.63) PTGDR2ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL2572551 0.86 PTGDR2 (0.62) PTGDR2HPGDALDH1A1KMT2AMEN1
SCHEMBL534136 0.86 PTGDR2 (0.62) PTGDR2ALDH1A1
SCHEMBL2576482 0.86 PTGDR2 (0.62) PTGDR2ALDH1A1TLR7
SCHEMBL2574634 0.85 PTGDR2 (0.60) PTGDR2ALDH1A1

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 146/4885HPGD 1772/4885HSD17B10 767/4885

“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.