SCHEMBL12778167

SCHEMBL12778167

O=C(NCc1ccc(F)cc1S(=O)(=O)N1CCOCC1)c1nc2n(c(=O)c1O)CCOC21CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
CNR1 P21554 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL12778165 0.96 LMNA (0.38) LMNATDP1KCNH2KMT2AMEN1
SCHEMBL12778157 0.94 PKM (0.40) LMNATDP1KCNH2KMT2AMEN1
SCHEMBL12778151 0.94 PTGDR2 (0.38) LMNATDP1KCNH2KMT2AMAPT
SCHEMBL12778150 0.94 KCNH2 (0.36) LMNAKCNH2KMT2AMEN1MAPT
SCHEMBL12778158 0.93 GNRHR (0.36) LMNATDP1KCNH2KMT2AMEN1
SCHEMBL12778156 0.93 KCNH2 (0.35) LMNATDP1KCNH2KMT2AMEN1
SCHEMBL14530340 0.93 KCNH2 (0.34) LMNATDP1KCNH2KMT2AMEN1
SCHEMBL12778155 0.92 KCNH2 (0.39) LMNATDP1KCNH2KMT2AMEN1
SCHEMBL12778172 0.92 KCNH2 (0.35) LMNATDP1KCNH2KMT2AMEN1
SCHEMBL3836233 0.92 KCNH2 (0.38) KCNH2ALDH1A1GAACNR2CYP2C9

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 LMNA 929/4885TDP1 49/4885KCNH2 3129/4885

“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.