SCHEMBL3778460

SCHEMBL3778460

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.66
PLA2G2A P14555 3/20 0.35
PPARD Q03181 5/20 0.34
FFAR1 O14842 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PPARA Q07869 2/20 0.33
EGLN1 Q9GZT9 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 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
SCHEMBL3779879 0.94 PTGDR2 (0.64) PTGDR2PLA2G2APPARDTDP1TSHR
SCHEMBL3777990 0.91 PTGDR2 (0.56) PTGDR2PLA2G2ATSHRKDM4EHTT
SCHEMBL10319365 0.91 PTGDR2 (0.60) PTGDR2PLA2G2APPARDTDP1TSHR
SCHEMBL3776129 0.91 PTGDR2 (0.78) PTGDR2PLA2G2APPARDFFAR1PKM
SCHEMBL3778555 0.90 PTGDR2 (0.58) PTGDR2
SCHEMBL534813 0.90 PTGDR2 (0.58) PTGDR2TDP1TSHRPKMKDM4E
SCHEMBL2572400 0.90 PTGDR2 (0.58) PTGDR2PLA2G2ATDP1TSHRPKM
SCHEMBL3778911 0.89 PTGDR2 (0.53) PTGDR2PLA2G2APPARDFFAR1TDP1
SCHEMBL2572457 0.89 PTGDR2 (0.57) PTGDR2PPARDFFAR1TDP1TSHR
SCHEMBL3770942 0.88 PTGDR2 (0.74) PTGDR2PPARDFFAR1TDP1TSHR

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 10 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-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US 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
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 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
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 146/4885PLA2G2A 1779/4885PPARD 779/4885

“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.