SCHEMBL13998917

SCHEMBL13998917

CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2(N)CCOCC2)nc(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.36
MAOB P27338 1/20 0.34
EPHX2 P34913 3/20 0.33
MAPK1 P28482 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PIK3CA P42336 1/20 0.32
NTRK1 P04629 1/20 0.32
P2RX7 Q99572 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL5127989 0.96 DDR1 (0.38) DDR1MAOBEPHX2ADORA2AADORA1
SCHEMBL5120525 0.90 DDR1 (0.35) DDR1MAOBEPHX2MAPK1PIK3CA
SCHEMBL5127999 0.88 DDR1 (0.36) DDR1MAOBEPHX2ADORA2AADORA1
SCHEMBL5127997 0.88 DDR1 (0.36) DDR1MAOBEPHX2ADORA2AADORA1
SCHEMBL5114973 0.85 DDR1 (0.35) DDR1MAOBEPHX2PIK3CANTRK1
SCHEMBL13998916 0.84 DDR1 (0.34) DDR1MAOBEPHX2EGLN1
SCHEMBL2203635 0.79 DDR1 (0.42) DDR1MAOBEPHX2ADORA2AADORA1
SCHEMBL6645834 0.79 DDR1 (0.38) DDR1MAOBEPHX2ADORA2AADORA1
SCHEMBL5258740 0.77 DDR1 (0.38) DDR1MAOBEPHX2ADORA2AADORA1
SCHEMBL3836233 0.77 KCNH2 (0.38) DDR1EPHX2PIK3CAP2RX7EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP 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-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP DDR1 2401/4885MAOB 1819/4885EPHX2 1940/4885

“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.