SCHEMBL3698752

SCHEMBL3698752

CS(=O)(=O)N1CC=C(c2cc(C(F)(F)F)c3nc(C(=O)N4CCC(c5cccc(F)c5)C4)c(Cl)n3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.45
SCD5 Q86SK9 5/20 0.41
CNR1 P21554 1/20 0.38
KIT P10721 2/20 0.36
GPR119 Q8TDV5 4/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL3699773 0.90 SCD5 (0.42) RBP4SCD5CNR1
SCHEMBL3688369 0.85 SCD5 (0.42) RBP4SCD5CNR1
SCHEMBL3692456 0.83 SCD5 (0.54) RBP4SCD5CNR1
SCHEMBL3689990 0.82 KDM5A (0.45) RBP4SCD5CNR1
SCHEMBL3689646 0.81 SCD5 (0.46) RBP4SCD5CNR1
SCHEMBL3686632 0.81 SCD5 (0.49) RBP4SCD5CNR1
SCHEMBL3648184 0.81 SCD5 (0.42) RBP4SCD5CNR1
SCHEMBL3695977 0.80 SCD5 (0.44) RBP4SCD5CNR1
SCHEMBL3688733 0.80 SCD5 (0.47) RBP4SCD5CNR1
SCHEMBL3694207 0.80 SCD5 (0.44) RBP4SCD5CNR1

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
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

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 RBP4 1868/4885SCD5 2314/4885CNR1 524/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RBP4 1868/4885SCD5 2314/4885CNR1 524/4885

“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.