SCHEMBL3776310

SCHEMBL3776310

COC(=O)COc1ccc(Cl)c2nc(OC(F)F)c(Cc3ccc(S(C)(=O)=O)cc3)c(C)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 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
SCHEMBL3786033 0.92 PTGDR2 (0.40) RORCPTGDR2
SCHEMBL3778423 0.91 PTGDR2 (0.41) TSHRHTTGAASMN1; SMN2RORC
SCHEMBL3781075 0.91 PTGDR2 (0.36) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3772529 0.90 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1PTGDR2LMNAKDM4E
SCHEMBL3785189 0.90 TSHR (0.38) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL534128 0.87 MAPT (0.35) ALDH1A1PTGDR2LMNAGLAKDM4E
SCHEMBL3778212 0.87 RORC (0.38) TSHRHTTGAASMN1; SMN2RORC
SCHEMBL3778548 0.87 TSHR (0.42) TSHRHTTGAASMN1; SMN2RORC
SCHEMBL3780089 0.87 PTGDR2 (0.39) TSHRHTTGAASMN1; SMN2RORC
SCHEMBL3770786 0.86 RORC (0.36) GAASMN1; SMN2RORCALDH1A1PTGDR2

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 TSHR 73/4885HTT 3597/4885GAA 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.