SCHEMBL6093726

SCHEMBL6093726

Cn1c(N2CCCCS2(O)O)nc(C(=O)NCCc2c[nH]c3ccccc23)c(O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.47
SNCA P37840 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 2/20 0.44
STAT3 P40763 1/20 0.42

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
SCHEMBL6093711 0.93 SIRT1 (0.48) SIRT1SNCAMEN1KMT2ALMNA
SCHEMBL6093875 0.84 CALCA (0.44) MEN1KMT2ALMNATSHRNPC1
SCHEMBL6093561 0.80 CALCA (0.54) MEN1KMT2ACYP1A2PKMCYP2C19
SCHEMBL6094030 0.80 THRB (0.42) LMNATSHRTP53SMN1; SMN2MAPT
SCHEMBL6093767 0.79 LIPG (0.43) MEN1KMT2ALMNACYP1A2CYP2C19
SCHEMBL6093395 0.78 CALCA (0.42)
SCHEMBL6094862 0.78 POLB (0.44) KMT2ALMNATSHRRAB9ASMN1; SMN2
SCHEMBL6097099 0.77 MEN1 (0.48) MEN1KMT2ALMNAPKMTSHR
SCHEMBL6093859 0.77 CALCA (0.52) MEN1KMT2ALMNATSHRMAPT
SCHEMBL6092659 0.76 POLB (0.44) MEN1KMT2ARAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 SIRT1 2517/4885SNCA 3161/4885MEN1 4267/4885

“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.