SCHEMBL5117348

SCHEMBL5117348

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.48
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
CPT1A P50416 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
TACR1 P25103 1/20 0.43
P2RX1 P51575 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5128702 0.94 ERCC1 (0.48) MLYCDERCC1FEN1ERCC4CPT1A
SCHEMBL5116918 0.92 NPC1 (0.57) MLYCDERCC1FEN1ERCC4CPT1A
SCHEMBL5122757 0.92 ERCC1 (0.53) ERCC1FEN1ERCC4CPT1ANPC1
SCHEMBL5123297 0.86 ERCC1 (0.54) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL5123965 0.84 ERCC1 (0.48) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL5121075 0.84 MAPT (0.43) ERCC1FEN1ERCC4CPT1ANPC1
SCHEMBL5121107 0.84 KMT2A (0.49) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL5139628 0.84 LMNA (0.63) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL5124302 0.83 ERCC1 (0.47) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL5117933 0.83 ERCC1 (0.66) ERCC1FEN1ERCC4NPC1RAB9A

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 11 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-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-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-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
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 MLYCD 1587/4885ERCC1 1543/4885FEN1 443/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MLYCD 1442/4885ERCC1 1789/4885FEN1 582/4885

“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.