SCHEMBL2576367

SCHEMBL2576367

Cc1c(Cc2ccc(Br)cc2)c(OC(F)F)nc2c(F)ccc(OCC(=O)OC(C)(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
AAK1 Q2M2I8 4/20 0.33
PTPN1 P18031 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL2574695 0.91 PTGDR2 (0.33) PTGDR2AAK1PTPN1KDM4EMEN1
SCHEMBL2576446 0.86 PTGDR2 (0.38) PTGDR2AAK1
SCHEMBL3785616 0.83 PTGDR2 (0.45) PTGDR2KDM4EALDH1A1HPGD
SCHEMBL3783447 0.82 PTGDR2 (0.43) PTGDR2
SCHEMBL2570601 0.82 PTGDR2 (0.40) PTGDR2ALDH1A1
SCHEMBL2576429 0.82 PTGDR2 (0.44) PTGDR2ALOX5APFEN1
SCHEMBL2569955 0.82 PTGDR2 (0.44) PTGDR2ALOX5APFEN1
SCHEMBL2575030 0.82 PTGDR2 (0.43) PTGDR2ALOX5APFEN1
SCHEMBL3780664 0.81 PTGDR2 (0.54) PTGDR2
SCHEMBL3785469 0.81 PTGDR2 (0.51) PTGDR2TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394830-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
US-20120184579-A1 Quinolines and Their Therapeutic Use GB005, INC. 2012-07-19 US disclosed
US-8173812-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2012-05-08 US disclosed
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP disclosed
US-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 US disclosed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 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 (2 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-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 PTGDR2 301/4885AAK1 4487/4885PTPN1 2815/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 PTGDR2 316/4885AAK1 4378/4885PTPN1 2836/4885

“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.