SCHEMBL3779421

SCHEMBL3779421

CCC(=O)C(Cc1ccc(F)cc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.48
NOS3 P29474 3/20 0.48
NOS1 P29475 3/20 0.48
PTPRB P23467 1/20 0.48
TSHR P16473 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 3/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
LDHA P00338 1/20 0.42

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
SCHEMBL5888360 0.89 PTPRB (0.58) NOS2NOS3NOS1PTPRBTSHR
SCHEMBL3784871 0.88 PPARG (0.49) GAAMEN1KMT2APPARGMAPK1
SCHEMBL6506722 0.86 ESR1 (0.62) PTPRBTSHRESR1ESR2KMT2A
SCHEMBL5887753 0.85 LDHA (0.54) NOS2NOS3NOS1PTPRBTSHR
SCHEMBL5452680 0.84 MMP8 (0.55) PTPRBGAAMEN1KMT2APPARG
SCHEMBL855971 0.84 NOS2 (0.50) NOS2NOS3NOS1PTPRBTSHR
SCHEMBL17479471 0.82 PTPRB (0.46) PTPRBTSHRESR1ESR2MEN1
SCHEMBL3779962 0.81 PTPRB (0.51) PTPRBESR1ESR2CA12CA9
SCHEMBL3778280 0.81 PTPRB (0.51) PTPRBESR1ESR2PPARGPPARD
SCHEMBL3778486 0.80 ALDH1A1 (0.40) TDP1

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 NOS2 1393/4885NOS3 954/4885NOS1 1448/4885

“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.