SCHEMBL6096334

SCHEMBL6096334

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CALCA P06881 4/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 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
SCHEMBL6096344 0.91 SMN1; SMN2 (0.45) POLBTP53SMN1; SMN2MAPTKDM4E
SCHEMBL6097052 0.91 CALCA (0.51) POLBSMN1; SMN2MAPTKDM4ECALCA
SCHEMBL6094020 0.90 CALCA (0.44) POLBTP53ALDH1A1CALCA
SCHEMBL6095901 0.90 TP53 (0.47) POLBTP53MAPTCALCARAB9A
SCHEMBL6095345 0.90 CALCA (0.53) POLBSMN1; SMN2CALCACYP2C9RAB9A
SCHEMBL6093760 0.90 LIPG (0.46) POLBTP53MEN1KMT2ACALCA
SCHEMBL6093859 0.89 CALCA (0.52) POLBMAPTKDM4EALOX15MEN1
SCHEMBL6092659 0.85 POLB (0.44) POLBTP53SMN1; SMN2MAPTMEN1
SCHEMBL6093855 0.84 CALCA (0.51) POLBCALCACYP2C9
SCHEMBL6095336 0.83 CALCA (0.60) POLBTP53CALCA

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 POLB 23/4885TP53 2504/4885SMN1; SMN2 3629/4885

“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.