SCHEMBL3781373

SCHEMBL3781373

Cc1nc2c(Cl)ccc(OS(=O)(=O)C(F)(F)F)c2c(C)c1Sc1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.33
DHFR P00374 1/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.32
AKR1B1 P15121 2/20 0.32
TP53 P04637 6/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 2/20 0.32
VDR P11473 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
GAA P10253 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
SCHEMBL3783208 0.81 PTGS1 (0.36) PTGDR2SMN1; SMN2
SCHEMBL3778570 0.80 ENPP2 (0.34) ALDH1A1SMN1; SMN2HTT
SCHEMBL3784962 0.77 PPARD (0.44) PTGDR2AKR1B1TP53MAPTVDR
SCHEMBL3776832 0.74 VDR (0.41) PTGDR2TP53MAPTVDRPOLB
SCHEMBL3778746 0.73 TP53 (0.39) TYMSDHFRPTGDR2AKR1B1TP53
SCHEMBL3782988 0.71 MBOAT4 (0.35) PTGDR2
SCHEMBL3788385 0.71 PTGDR2 (0.43) TYMSDHFRPTGDR2AKR1B1TP53
SCHEMBL3778397 0.69 VDR (0.40) TYMSDHFRPTGDR2AKR1B1TP53
SCHEMBL23166109 0.68 EPAS1 (0.41) TP53ALDH1A1
SCHEMBL3775986 0.68 PPARD (0.39) PTGDR2AKR1B1TP53MAPTVDR

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 TYMS 3750/4885DHFR 1084/4885PTGDR2 146/4885

“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.