SCHEMBL2079170

SCHEMBL2079170

CN(C)S(=O)(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
POLB P06746 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2080828 0.78 POLB (0.51) POLBKDM4EALDH1A1MAPK1ATM
SCHEMBL964134 0.75 POLB (0.53) POLBKDM4EMAPK1ATMMEN1
SCHEMBL2293796 0.75 POLB (0.54) GAAPOLBKDM4EALDH1A1MAPK1
SCHEMBL13609307 0.74 GAA (0.40) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL3244130 0.74 POLB (0.51) GAAPOLBKDM4EALDH1A1MAPK1
SCHEMBL19121927 0.74 POLB (0.51) POLBKDM4EALDH1A1MAPK1ATM
SCHEMBL11142722 0.73
SCHEMBL13902799 0.73 GAA (0.60) GAAPOLBKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL29809019 0.71 GAA (0.52) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL15283000 0.69 GAA (0.95) GAAKDM4EALDH1A1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
WO-2007143446-A1 SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-13 WO disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 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-20070281917-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 GAA 623/4885POLB 7/4885KDM4E 680/4885

“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.