SCHEMBL18640966

SCHEMBL18640966

CCOC(=O)CC(N[S+]([O-])C(C)(C)C)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.39
NAMPT P43490 1/20 0.37
TSHR P16473 1/20 0.35
ROCK2 O75116 1/20 0.35
THRB P10828 1/20 0.35
CASP1 P29466 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA5 P22460 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
CDC7 O00311 2/20 0.33
DBF4 Q9UBU7 2/20 0.33
GAA P10253 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL21476108 0.84 AR (0.35) ROCK2THRBMEN1KMT2AKDM4E
SCHEMBL29949525 0.84 AR (0.35) ROCK2THRBMEN1KMT2AKDM4E
SCHEMBL21476117 0.84 AR (0.35) ROCK2THRBMEN1KMT2AKDM4E
SCHEMBL29949964 0.84 AR (0.35) ROCK2THRBMEN1KMT2AKDM4E
SCHEMBL28527830 0.84 AR (0.35) ROCK2THRBMEN1KMT2AKDM4E
SCHEMBL28527988 0.84 AR (0.35) ROCK2THRBMEN1KMT2AKDM4E
SCHEMBL28238011 0.83 EEF2K (0.40) MEN1KMT2AKCNA5MAPTALDH1A1
SCHEMBL30671410 0.81 CYP1A2 (0.42) TSHRKCNA5KDM4EGAAALDH1A1
SCHEMBL18640937 0.80 SMN1; SMN2 (0.44) PPIDTSHRCASP1MEN1KMT2A
SCHEMBL31362647 0.80 SMN1; SMN2 (0.44) PPIDTSHRCASP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237441-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-08-23 US disclosed
EP-3350185-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-07-25 EP disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 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-20180237441-A1 Chemical Compounds PSEN1, IRS1, CPT1A PPID 2401/4885NAMPT 3719/4885TSHR 1465/4885

“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.