SCHEMBL6095159

SCHEMBL6095159

CC(NC(=O)c1nc(N2CCCCS2(=O)=O)n(C)c(=O)c1O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.42
CALCA P06881 9/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL6093749 0.92 PHGDH (0.43) PHGDHCALCAALDH1A1POLBHTT
SCHEMBL6094115 0.91 PHGDH (0.42) PHGDHCALCASMN1; SMN2ALDH1A1GAA
SCHEMBL6095162 0.91 SMN1; SMN2 (0.38) PHGDHSMN1; SMN2ALDH1A1HSP90AA1GAA
SCHEMBL6095571 0.91 CALCA (0.44) PHGDHCALCAKMT2AHTTPDE2A
SCHEMBL6095294 0.91 PHGDH (0.47) PHGDHCALCASMN1; SMN2ALDH1A1POLB
SCHEMBL6095823 0.91 PHGDH (0.47) PHGDHCALCASMN1; SMN2ALDH1A1POLB
SCHEMBL6094424 0.89 PHGDH (0.41) PHGDHCALCAPDE2A
SCHEMBL6094058 0.86 PHGDH (0.44) PHGDHCALCAKMT2ABACE1BACE2
SCHEMBL6096233 0.83 POLB (0.42) POLB
SCHEMBL6093763 0.82 L3MBTL1 (0.37) PHGDHSMN1; SMN2ALDH1A1POLBHTT

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 PHGDH 1699/4885CALCA 4716/4885SMN1; SMN2 3629/4885

“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.