SCHEMBL5963390

SCHEMBL5963390

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 1/20 0.32
HSD11B1 P28845 3/20 0.32
HTR1D P28221 1/20 0.31
ADRA1A P35348 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
TP53 P04637 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
GALR1 P47211 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 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
SCHEMBL5964310 0.83 ALDH1A1 (0.37) KMT2AALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL5007425 0.81 GALR1 (0.36) KMT2AALDH1A1KDM4EGAAPOLB
SCHEMBL5963554 0.80 ACAT2 (0.32) LMNAALDH1A1SMN1; SMN2POLB
SCHEMBL5964212 0.78 KMT2A (0.36) LMNAKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5963447 0.76 PARP1 (0.34) LMNAALDH1A1SMN1; SMN2POLBHTT
SCHEMBL5963597 0.69 GALR1 (0.38) LMNAALDH1A1SMN1; SMN2POLBGALR1
SCHEMBL5963305 0.63 SLC6A3 (0.39) LMNAALDH1A1SLC6A2
SCHEMBL5963772 0.63 AKR1B1 (0.33) LMNAALDH1A1SLC6A2GALR1
SCHEMBL5963589 0.63 SLC6A4 (0.38) LMNAALDH1A1SLC6A2GALR1
SCHEMBL5001155 0.62 PTGS2 (0.37) HTT

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 TSHR 224/4885LMNA 4666/4885KMT2A 3557/4885

“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.