SCHEMBL5963554

SCHEMBL5963554

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACAT2 Q9BWD1 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 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
SCHEMBL5963447 0.82 PARP1 (0.34) POLBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5963823 0.82 GALR1 (0.35) POLBALDH1A1
SCHEMBL5964310 0.82 ALDH1A1 (0.37) POLBALDH1A1SMN1; SMN2
SCHEMBL5963571 0.81 PDE7A (0.37) POLBALDH1A1SMN1; SMN2
SCHEMBL5007425 0.80 GALR1 (0.36) POLBALDH1A1
SCHEMBL5963390 0.80 TSHR (0.34) POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL5963380 0.75 GALR1 (0.40) POLBALDH1A1SMN1; SMN2
SCHEMBL5963772 0.73 AKR1B1 (0.33) ALDH1A1LMNA
SCHEMBL5001155 0.72 PTGS2 (0.37)
SCHEMBL5963597 0.71 GALR1 (0.38) POLBALDH1A1SMN1; SMN2LMNA

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 ACAT2 2900/4885POLB 4556/4885ALDH1A1 4282/4885

“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.