SCHEMBL6094060

SCHEMBL6094060

CC(NC(=O)c1nc(N2CCCCS2(O)O)n(C)c(=O)c1O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GPR139 Q6DWJ6 2/20 0.39
HDAC3 O15379 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CNR2 P34972 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6094054 0.91 CALCA (0.43) PDE2ALMNAGAAGPR139HDAC3
SCHEMBL6095839 0.87 ALDH1A1 (0.45) LMNACYP2C9MEN1KMT2AALDH1A1
SCHEMBL6095305 0.87 ALDH1A1 (0.45) LMNACYP2C9MEN1KMT2AALDH1A1
SCHEMBL6094063 0.85 MEN1 (0.42) PDE2ACNR2MEN1KMT2AALDH1A1
SCHEMBL6094125 0.82 ALDH1A1 (0.40) PDE2AGAAALDH1A1POLBHTT
SCHEMBL6095162 0.82 SMN1; SMN2 (0.38) PDE2ALMNAGAAKMT2AALDH1A1
SCHEMBL6096240 0.81 POLB (0.42) CYP2C9POLB
SCHEMBL6094437 0.81 CLK1 (0.39) PDE2ACNR2MEN1KMT2A
SCHEMBL6094110 0.80 TACR3 (0.41) LMNACYP2C9ALDH1A1HTT
SCHEMBL6093561 0.78 CALCA (0.54) CYP2C9MEN1KMT2AALDH1A1POLB

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 PDE2A 1238/4885LMNA 3550/4885GAA 580/4885

“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.