SCHEMBL6093760

SCHEMBL6093760

Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCCc2ccc(Cl)cc2)c(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
THRB P10828 3/20 0.43
LMNA P02545 2/20 0.43
CALCA P06881 7/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 2/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL6094020 0.92 CALCA (0.44) THRBLMNACALCAPOLBTP53
SCHEMBL6095345 0.91 CALCA (0.53) CALCAPOLBMCHR1
SCHEMBL6093767 0.91 LIPG (0.43) LIPGTHRBLMNAMEN1KMT2A
SCHEMBL6093859 0.91 CALCA (0.52) LIPGTHRBLMNACALCAPOLB
SCHEMBL6095158 0.91 CALCA (0.52) THRBLMNACALCAMEN1KMT2A
SCHEMBL6094716 0.90 CALCA (0.47) THRBLMNACALCAPOLBMEN1
SCHEMBL6096334 0.90 POLB (0.47) CALCAPOLBMEN1KMT2ACYP2D6
SCHEMBL6093855 0.86 CALCA (0.51) LIPGCALCAPOLB
SCHEMBL6093826 0.85 LIPG (0.50) LIPG
SCHEMBL6095336 0.84 CALCA (0.60) THRBCALCAPOLBTP53

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 LIPG 2045/4885THRB 2117/4885LMNA 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.