SCHEMBL5001009

SCHEMBL5001009

O=S1(=O)NC2(CCCC2)C(CBr)=C1c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.33
ALDH1A1 P00352 1/20 0.31
AKR1B1 P15121 1/20 0.31
PDE7A Q13946 2/20 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
SCHEMBL5963772 0.99 AKR1B1 (0.33) GALR1ALDH1A1AKR1B1PDE7A
SCHEMBL5964122 0.86 POLB (0.35) GALR1ALDH1A1AKR1B1
SCHEMBL5963589 0.85 SLC6A4 (0.38) GALR1ALDH1A1AKR1B1PDE7A
SCHEMBL5963305 0.82 SLC6A3 (0.39) ALDH1A1AKR1B1PDE7A
SCHEMBL5001155 0.81 PTGS2 (0.37)
SCHEMBL5004858 0.81 AKR1B1 (0.33) GALR1AKR1B1
SCHEMBL5964210 0.80 AKR1B1 (0.34) ALDH1A1AKR1B1
SCHEMBL6820261 0.80 FPR2 (0.35) ALDH1A1AKR1B1PDE7A
SCHEMBL5900937 0.80 RECQL (0.33) ALDH1A1
SCHEMBL5007459 0.79 FPR2 (0.32) AKR1B1

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-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
EP-1497317-B1 DIPEPTIDIC GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-09-06 EP disclosed
US-20060167268-A1 Growth hormone secretagogues ELI LILLY AND COMPANY, PATENT DIVISION, (US) 2006-07-27 US disclosed
EP-1497316-B1 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-07-05 EP disclosed
US-20050240001-A1 2-(2-Amino-2-methylpropionylamino)-3-(2,6-difluoro-3-methylphenyl)methoxy propionic acid N-[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydroisothiazol-4-ylmethyl]-N-ethylamide; endogenous human growth hormone controller; non-peptidyl in nature, more metabolically stable ELI LILLY AND COMPANY (US) 2005-10-27 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-20060167268-A1 Growth hormone secretagogues GHSR, GHRHR, CRH GALR1 139/4885ALDH1A1 4382/4885AKR1B1 2745/4885

“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.