SCHEMBL3788696

SCHEMBL3788696

NS(=O)(=O)CC1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccco4)cn3c2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.38
SCD O00767 4/20 0.38
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
CFTR P13569 1/20 0.33
LMNA P02545 3/20 0.33
P2RX7 Q99572 1/20 0.33
RBP4 P02753 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 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
SCHEMBL3688433 0.88 SCD5 (0.52) SCD5SCDPKMRXFP1ALDH1A1
SCHEMBL3789954 0.84 SCN9A (0.36) SCD5SCDPKMRXFP1ALDH1A1
SCHEMBL3690897 0.84 ALDH1A1 (0.46) PKMRXFP1ALDH1A1HPGDCASP1
SCHEMBL3690063 0.83 SCD5 (0.45) SCD5SCDALDH1A1HPGDLMNA
SCHEMBL3788850 0.82 KMT2A (0.30)
SCHEMBL13261948 0.81 CFTR (0.35) SCD5SCDPKMRXFP1ALDH1A1
SCHEMBL3691007 0.81 ALDH1A1 (0.42) PKMRXFP1ALDH1A1HPGDCASP1
SCHEMBL3695353 0.79 ALDH1A1 (0.52) ALDH1A1HPGDTSHRLMNAKDM4E
SCHEMBL3689454 0.79 SCD5 (0.47) SCD5SCDALDH1A1TSHRRBP4
SCHEMBL3689489 0.79 MAPT (0.51) SCD5SCDALDH1A1HPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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 (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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 SCD5 2314/4885SCD 1226/4885PKM 2286/4885

“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.