SCHEMBL5127997

SCHEMBL5127997

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.36
EPHX2 P34913 3/20 0.34
PDE4B Q07343 2/20 0.33
PDE11A Q9HCR9 2/20 0.33
PDE4D Q08499 1/20 0.33
EGLN2 Q96KS0 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
MAOB P27338 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL5127999 0.89 DDR1 (0.36) DDR1EPHX2PDE4BPDE11APDE4D
SCHEMBL13998917 0.88 DDR1 (0.36) DDR1EPHX2PDE4BPDE11APDE4D
Trifluoroacetic Acid SCHEMBL5127989 0.87 DDR1 (0.38) DDR1EPHX2PDE4BPDE11APDE4D
SCHEMBL5120525 0.78 DDR1 (0.35) DDR1EPHX2EGLN1MAOBNTRK1
SCHEMBL13998916 0.77 DDR1 (0.34) DDR1EPHX2EGLN2EGLN1MAOB
SCHEMBL5114973 0.76 DDR1 (0.35) DDR1EPHX2MAOBNTRK1
SCHEMBL6645427 0.75 PDE4B (0.34) EPHX2PDE4BPDE11APDE4D
SCHEMBL2203635 0.72 DDR1 (0.42) DDR1EPHX2PDE4BPDE11APDE4D
SCHEMBL3836233 0.71 KCNH2 (0.38) DDR1EPHX2EGLN1
SCHEMBL14422274 0.71 KCNH2 (0.41) DDR1EGLN1

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-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-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
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 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 (2 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP DDR1 2416/4885EPHX2 1883/4885PDE4B 407/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP DDR1 2401/4885EPHX2 1940/4885PDE4B 387/4885

“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.