SCHEMBL5114844

SCHEMBL5114844

O=C(O[C@@H]1C[C@@H](c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)N(C(=O)c2ccccc2)C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CALCA P06881 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
PTGER2 P43116 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
SMO Q99835 1/20 0.35
PRKAA2 P54646 1/20 0.35
KCNE1 P15382 1/20 0.35
CCR1 P32246 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
SCHEMBL5122193 0.90 LMNA (0.41) PTGER4TLR2TLR1ALDH1A1CALCA
SCHEMBL6645368 0.90 LMNA (0.41) PTGER4TLR2TLR1ALDH1A1CALCA
SCHEMBL5121491 0.88 VHL (0.41) PTGER4TLR2TLR1ALDH1A1CALCA
SCHEMBL5118409 0.87 TLR2 (0.42) PTGER4TLR2TLR1ALDH1A1SMN1; SMN2
SCHEMBL5121553 0.83 ALDH1A1 (0.48) PTGER4ALDH1A1CALCASMN1; SMN2PRKAA2
SCHEMBL5119825 0.82 ALDH1A1 (0.46) PTGER4ALDH1A1CALCAPRKAA2
SCHEMBL5127802 0.82 LMNA (0.43) PTGER4ALDH1A1CALCASMN1; SMN2TP53
SCHEMBL5130380 0.82 LMNA (0.40) PTGER4TLR2TLR1ALDH1A1KMT2A
SCHEMBL5122404 0.81 SMN1; SMN2 (0.41) PTGER4ALDH1A1CALCASMN1; SMN2TP53
SCHEMBL5123260 0.81 KMT2A (0.42) PTGER4ALDH1A1CALCASMN1; SMN2TP53

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 2 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-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 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-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP PTGER4 1432/4885TLR2 2352/4885TLR1 2005/4885

“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.