SCHEMBL12778158

SCHEMBL12778158

CC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2O)CCOC32CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 4/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL12778160 0.94 PKM (0.37) KCNH2CYP2C9ALDH1A1GAAEPHX2
SCHEMBL12778157 0.94 PKM (0.40) KCNH2CYP2C9ALDH1A1TDP1GAA
SCHEMBL12778150 0.94 KCNH2 (0.36) KCNH2CYP2C9ALDH1A1GAAMAPT
SCHEMBL12778167 0.93 LMNA (0.38) KCNH2CYP2C9ALDH1A1TDP1GAA
SCHEMBL12778163 0.93 KCNH2 (0.37) GNRHRKCNH2CYP2C9ALDH1A1TDP1
SCHEMBL12778156 0.92 KCNH2 (0.35) KCNH2CYP2C9ALDH1A1TDP1GAA
SCHEMBL12778172 0.92 KCNH2 (0.35) KCNH2CYP2C9ALDH1A1TDP1GAA
SCHEMBL12778155 0.92 KCNH2 (0.39) KCNH2CYP2C9ALDH1A1TDP1GAA
SCHEMBL14530340 0.91 KCNH2 (0.34) KCNH2CYP2C9ALDH1A1TDP1GAA
SCHEMBL12778151 0.91 PTGDR2 (0.38) KCNH2CYP2C9ALDH1A1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
WO-2007059229-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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-20070111985-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 GNRHR 3811/4885KCNH2 3129/4885CYP2C9 662/4885

“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.