SCHEMBL3778006

SCHEMBL3778006

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.59
TSHR P16473 4/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RORC P51449 3/20 0.33
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL3779349 0.93 PTGDR2 (0.59) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL3778352 0.92 PTGDR2 (0.70) PTGDR2RORC
SCHEMBL3772517 0.91 PTGDR2 (0.66) PTGDR2HTTGAASMN1; SMN2ALDH1A1
SCHEMBL3782624 0.90 PTGDR2 (0.63) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL534136 0.89 PTGDR2 (0.62) PTGDR2HTTALDH1A1MAPTNPC1
SCHEMBL2576482 0.89 PTGDR2 (0.62) PTGDR2ALDH1A1MAPTDHFR
SCHEMBL2572551 0.89 PTGDR2 (0.62) PTGDR2HTTGAAALDH1A1HPGD
SCHEMBL2574709 0.89 PTGDR2 (0.58) PTGDR2TSHRHTTSMN1; SMN2MAPT
SCHEMBL534558 0.88 PTGDR2 (0.61) PTGDR2HTTALDH1A1MAPTDHFR
SCHEMBL2574634 0.88 PTGDR2 (0.60) PTGDR2ALDH1A1MAPTDHFR

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 73/4885HTT 3597/4885

“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.