SCHEMBL3705801

SCHEMBL3705801

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC(NS(=O)(=O)c2ccccc2F)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 12/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
NR1H2 P55055 1/20 0.33
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
LIPE Q05469 2/20 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
SCHEMBL3695329 0.90 SFRP1 (0.38) SFRP1
SCHEMBL3697747 0.88 EPHX2 (0.33) SFRP1
SCHEMBL3697217 0.88 SFRP1 (0.34) SFRP1CNR1TYRO3MERTK
SCHEMBL3687599 0.87 SCN9A (0.36) TYRO3MERTK
SCHEMBL3706660 0.86 P2RX7 (0.32) SFRP1NR1H2TYRO3MERTK
SCHEMBL3706083 0.86 TYRO3 (0.32) TYRO3MERTK
SCHEMBL3708558 0.86 TYRO3 (0.32) TYRO3MERTK
SCHEMBL3696157 0.85 F2R (0.32) SFRP1NR1H2TYRO3MERTKLIPE
SCHEMBL3704225 0.85 DDR1 (0.34) TYRO3MERTK
SCHEMBL3702694 0.85 GRIA2 (0.33) TYRO3MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 SFRP1 4331/4885CNR1 524/4885CNR2 635/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SFRP1 4331/4885CNR1 524/4885CNR2 635/4885

“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.