SCHEMBL6092659

SCHEMBL6092659

COc1ccccc1CCNC(=O)c1nc(N2CCCCS2(=O)=O)n(C)c(=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CALCA P06881 6/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6092673 0.92 POLB (0.44) POLBMTNR1AMTNR1BMAPTMEN1
SCHEMBL6092620 0.92 CALCA (0.47) POLBCALCAMAPTMEN1KMT2A
SCHEMBL6093859 0.86 CALCA (0.52) POLBCALCAMAPTMEN1KMT2A
SCHEMBL6096334 0.85 POLB (0.47) POLBCALCAMAPTMEN1KMT2A
SCHEMBL6095901 0.84 TP53 (0.47) POLBCALCAMAPTTP53RAB9A
SCHEMBL6093711 0.84 SIRT1 (0.48) CALCAMAPTMEN1KMT2ATP53
SCHEMBL6092631 0.83 MEN1 (0.44) POLBMAPTMEN1KMT2ATP53
SCHEMBL6095345 0.83 CALCA (0.53) POLBCALCASMN1; SMN2RAB9A
SCHEMBL6094020 0.82 CALCA (0.44) POLBCALCATP53ALDH1A1
SCHEMBL6093381 0.82 CALCA (0.49) POLBCALCAALDH1A1HPGD

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 POLB 23/4885MTNR1A 3859/4885MTNR1B 3215/4885

“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.