SCHEMBL3777413

SCHEMBL3777413

CCc1nc2c(F)ccc(O[C@@H](C)C(=O)O)c2c(OC)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 4/20 0.36
PTGDR Q13258 1/20 0.36
EIF4EBP1 Q13541 1/20 0.36
POLB P06746 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3777423 1.00 TSHR (0.43) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL3773549 0.92 SMN1; SMN2 (0.39) TSHRPTGDR2SMN1; SMN2HPGDEIF4EBP1
SCHEMBL3773541 0.92 SMN1; SMN2 (0.39) TSHRPTGDR2SMN1; SMN2HPGDEIF4EBP1
SCHEMBL3778507 0.92 PTGDR2 (0.48) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL3778499 0.92 PTGDR2 (0.48) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL3775870 0.85 PTGDR2 (0.45) TSHRPTGDR2SMN1; SMN2HPGDEIF4EBP1
SCHEMBL3775867 0.85 PTGDR2 (0.45) TSHRPTGDR2SMN1; SMN2HPGDEIF4EBP1
SCHEMBL14548163 0.82 TSHR (0.41) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL3772564 0.81 PTGDR2 (0.61) TSHRPTGDR2PPARGPTGDREIF4EBP1
SCHEMBL3780242 0.80 PTGDR2 (0.46) PTGDR2HPGDHSD17B10

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 9 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

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 73/4885HTR2A 1444/4885HTR2C 921/4885

“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.