SCHEMBL6095571

SCHEMBL6095571

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALCA P06881 9/20 0.44
MAOA P21397 1/20 0.43
PHGDH O43175 1/20 0.42
ROCK2 O75116 1/20 0.39
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNK3 O14649 2/20 0.37
PDE2A O00408 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 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) CALCAPHGDHHTT
SCHEMBL6095159 0.91 PHGDH (0.42) CALCAPHGDHHTTKMT2APDE2A
SCHEMBL6094115 0.91 PHGDH (0.42) CALCAPHGDHHTTPDE2A
SCHEMBL6095582 0.91 MAOA (0.43) CALCAMAOAPHGDHROCK2MEN1
SCHEMBL6095823 0.91 PHGDH (0.47) CALCAPHGDHHTTNPC1
SCHEMBL6095294 0.91 PHGDH (0.47) CALCAPHGDHHTTNPC1
SCHEMBL6094424 0.89 PHGDH (0.41) CALCAPHGDHPDE2ACNR2
SCHEMBL6094058 0.86 PHGDH (0.44) CALCAPHGDHMEN1KMT2APDE2A
Bms-707035 SCHEMBL6095261 0.83 CALCA (0.63) CALCAMEN1KMT2A
SCHEMBL6096233 0.83 POLB (0.42) ROCK2

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 CALCA 4716/4885MAOA 1507/4885PHGDH 1699/4885

“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.