SCHEMBL6097052

SCHEMBL6097052

COc1ccc(CNC(=O)c2nc(N3CCCCS3(=O)=O)n(C)c(=O)c2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCA P06881 10/20 0.51
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6096334 0.91 POLB (0.47) CALCAMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL6097061 0.91 MAPT (0.44) CALCALMNAMAPTKDM4EMAPK1
SCHEMBL6096409 0.90 CALCA (0.53) CALCALMNAMAPTPOLB
SCHEMBL6095580 0.90 CALCA (0.55) CALCATHRBSMN1; SMN2
Bms-707035 SCHEMBL6095261 0.89 CALCA (0.63) CALCASMN1; SMN2
SCHEMBL6095158 0.89 CALCA (0.52) CALCALMNAMAPTTHRB
SCHEMBL6093545 0.89 CALCA (0.63) CALCAKDM4EHTTPOLB
SCHEMBL6096202 0.87 LMNA (0.44) CALCALMNAMAPTTSHR
SCHEMBL6092760 0.87 CALCA (0.52) CALCALMNAPOLB
SCHEMBL6093723 0.86 CALCA (0.49) CALCAPOLBTSHRSMN1; SMN2

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 3550/4885MAPT 3749/4885

“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.