SCHEMBL5964310

SCHEMBL5964310

CC1=C(c2ccc(F)cc2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 3/20 0.35
GALR1 P47211 1/20 0.35
PTGS2 P35354 2/20 0.34
PLA2G7 Q13093 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SSTR3 P32745 1/20 0.32
HSD11B1 P28845 1/20 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
SCHEMBL5963823 0.85 GALR1 (0.35) ALDH1A1POLBGALR1SLC6A3SLC6A4
SCHEMBL5963609 0.85 PDE7A (0.41) POLBGALR1MAPTKMT2ASMN1; SMN2
SCHEMBL5963571 0.85 PDE7A (0.37) ALDH1A1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL5007425 0.84 GALR1 (0.36) ALDH1A1POLBGALR1PTGS2MAPT
SCHEMBL5007455 0.82 PTGS2 (0.43) PTGS2KMT2ASMN1; SMN2
SCHEMBL5004773 0.77 ALDH1A1 (0.36) ALDH1A1POLBPLA2G7MEN1KMT2A
SCHEMBL5963380 0.75 GALR1 (0.40) ALDH1A1POLBGALR1MAPTMEN1
SCHEMBL5963597 0.71 GALR1 (0.38) ALDH1A1POLBGALR1SMN1; SMN2
SCHEMBL5964141 0.71 GRIA2 (0.36) ALDH1A1GALR1
SCHEMBL5963305 0.65 SLC6A3 (0.39) ALDH1A1SLC6A3SLC6A4SLC6A2SSTR3

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
US-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US 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 ALDH1A1 4282/4885POLB 4556/4885GALR1 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.