SCHEMBL5963772

SCHEMBL5963772

O=S1(=O)NC2(CCCCC2)C(CBr)=C1c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
PDE7A Q13946 3/20 0.33
GALR1 P47211 1/20 0.33
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
PGR P06401 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FPR2 P25090 1/20 0.31
SLC6A2 P23975 2/20 0.30

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
SCHEMBL5001009 0.99 GALR1 (0.33) AKR1B1PDE7AGALR1ALDH1A1
SCHEMBL5964122 0.88 POLB (0.35) AKR1B1GALR1ALDH1A1
SCHEMBL5963589 0.86 SLC6A4 (0.38) AKR1B1PDE7AGALR1SLC6A4SLC6A3
SCHEMBL5963305 0.83 SLC6A3 (0.39) AKR1B1PDE7ASLC6A4SLC6A3ALDH1A1
SCHEMBL5001155 0.82 PTGS2 (0.37)
SCHEMBL5964210 0.81 AKR1B1 (0.34) AKR1B1SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL6820261 0.81 FPR2 (0.35) AKR1B1PDE7AALDH1A1LMNACYP3A4
SCHEMBL5004858 0.80 AKR1B1 (0.33) AKR1B1GALR1SLC6A4SLC6A3FPR2
SCHEMBL5963749 0.79 FPR2 (0.34) AKR1B1SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL5964279 0.79 AKR1B1 (0.31) AKR1B1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US disclosed
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP disclosed
US-20040058971-A1 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY 2004-03-25 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-20040058971-A1 Substituted dipeptides as growth hormone secretagogues GHSR, GHRHR, SSTR4 AKR1B1 4086/4885PDE7A 1888/4885GALR1 404/4885

“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.