SCHEMBL6094014

SCHEMBL6094014

Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCc2cccc(Cl)c2)c(O)c1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCA P06881 9/20 0.57
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ADORA1 P30542 1/20 0.41
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL6094716 0.92 CALCA (0.47) CALCALMNATHRB
SCHEMBL6094025 0.91 CALCA (0.49) CALCATP53LMNAMAPTTHRB
SCHEMBL6095005 0.91 CALCA (0.51) CALCATP53LMNA
SCHEMBL6092456 0.90 CALCA (0.58) CALCATP53MAPTTHRBADORA1
SCHEMBL6094826 0.90 CALCA (0.71) CALCATP53LMNATHRB
SCHEMBL6095158 0.89 CALCA (0.52) CALCATP53LMNAMAPTTHRB
SCHEMBL6093545 0.89 CALCA (0.63) CALCATP53
SCHEMBL6094165 0.89 CALCA (0.51) CALCATP53LIPG
SCHEMBL6095580 0.88 CALCA (0.55) CALCATP53THRB
SCHEMBL6094886 0.88 CALCA (0.53) CALCATP53LIPG

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 4716/4885TP53 2504/4885LMNA 3550/4885

“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.