SCHEMBL6095901

SCHEMBL6095901

COc1cccc(CCNC(=O)c2nc(N3CCCCS3(=O)=O)n(C)c(=O)c2O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
CALCA P06881 7/20 0.46
TOP2A P11388 1/20 0.44
CACNA1G O43497 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.40
HTR3A P46098 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
SCHEMBL6095912 0.92 MAPT (0.49) TP53MAPTPOLBCALCATOP2A
SCHEMBL6095580 0.92 CALCA (0.55) TP53CALCATHRB
SCHEMBL6096334 0.90 POLB (0.47) TP53MAPTPOLBCALCARAB9A
SCHEMBL6095336 0.89 CALCA (0.60) TP53POLBCALCACACNA1GTHRB
SCHEMBL6094716 0.89 CALCA (0.47) POLBCALCARAB9ATHRB
SCHEMBL6093859 0.88 CALCA (0.52) MAPTPOLBCALCATHRB
SCHEMBL6094020 0.84 CALCA (0.44) TP53POLBCALCATHRB
SCHEMBL6092659 0.84 POLB (0.44) TP53MAPTPOLBCALCARAB9A
SCHEMBL6095589 0.84 CALCA (0.47) TP53CALCATOP2ATHRB
SCHEMBL6097052 0.83 CALCA (0.51) MAPTPOLBCALCATHRB

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 TP53 2504/4885MAPT 3749/4885POLB 23/4885

“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.