SCHEMBL6094418

SCHEMBL6094418

Cn1c(N2CCCCS2(O)O)nc(C(=O)NCc2ccccc2F)c(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCA P06881 8/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
LIPG Q9Y5X9 2/20 0.41
HSD17B13 Q7Z5P4 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6094406 0.91 CALCA (0.52) CALCALMNAHPGDLIPGPOLB
SCHEMBL6093395 0.90 CALCA (0.42) CALCAHPGDLIPGPOLB
SCHEMBL6095795 0.90 CALCA (0.45) CALCAHSD17B13
SCHEMBL6093434 0.90 CALCA (0.45) CALCALIPGRAB9A
SCHEMBL6097099 0.89 MEN1 (0.48) CALCALMNALIPGTP53MAPT
SCHEMBL6095047 0.89 CNR1 (0.44) CALCALIPGHSD17B13
SCHEMBL6092631 0.88 MEN1 (0.44) LMNAHPGDPOLBTP53GAA
SCHEMBL6093561 0.87 CALCA (0.54) CALCAPOLBTP53RAB9A
SCHEMBL6095269 0.85 CALCA (0.54) CALCALIPG
SCHEMBL6096329 0.85 CALCA (0.47) CALCA

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 4716/4885LMNA 3550/4885HPGD 2482/4885

“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.