SCHEMBL3779431

SCHEMBL3779431

CCc1[nH]c2c(F)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.37
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
ALDH1A1 P00352 4/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
CMA1 P23946 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3776184 0.93 TSHR (0.36) PTGDR2TSHRGAASMN1; SMN2HTT
SCHEMBL3779461 0.90 ALDH1A1 (0.41) PTGDR2GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL534697 0.90 PTGDR2 (0.33) PTGDR2TSHRGAASMN1; SMN2HTT
SCHEMBL3777589 0.89 TSHR (0.40) PTGDR2TSHRGAASMN1; SMN2HTT
SCHEMBL3779428 0.89 PTGDR2 (0.36) PTGDR2TSHRGAASMN1; SMN2HTT
SCHEMBL2573624 0.88 ALDH1A1 (0.34) PTGDR2SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL2575631 0.88 ERAP1 (0.35) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL534053 0.87 MAOB (0.34) PTGDR2MAPK8ALDH1A1MAPTKDM4E
SCHEMBL3777868 0.87 TSHR (0.39) PTGDR2TSHRGAASMN1; SMN2HTT
SCHEMBL3779400 0.85 NPC1 (0.42) TSHRALDH1A1MAPTNPC1

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 146/4885TSHR 73/4885GAA 4744/4885

“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.