Sugi Predict

Sugi Predict / Compounds / SCHEMBL5117833

SCHEMBL5117833

SCHEMBL5117833

O=C(NCc1ccc(F)cc1)c1nc([C@@H]2C[C@@H](O)CN2C(=O)O)nc(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 1/20 0.40
▸ KCNE1 P15382 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ERCC1 P07992 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ CALCA P06881 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ THRB P10828 1/20 0.37

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
SCHEMBL5121491 0.90 VHL (0.41) ALDH1A1KCNE1CCR1KCNQ1KMT2A
SCHEMBL5121129 0.88 KCNE1 (0.44) ALDH1A1HTTKCNE1CCR1KCNQ1
SCHEMBL13999141 0.87 MEN1 (0.43) ALDH1A1HTTKCNE1CCR1KCNQ1
SCHEMBL5127802 0.84 LMNA (0.43) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL5116540 0.83 KCNE1 (0.45) ALDH1A1HTTKCNE1CCR1KCNQ1
SCHEMBL3533570 0.81 KCNH2 (0.47) ALDH1A1KCNE1CCR1KCNQ1KMT2A
SCHEMBL5250433 0.81 GAA (0.40) ALDH1A1HTTKCNE1CCR1KCNQ1
SCHEMBL5118409 0.80 TLR2 (0.42) ALDH1A1KCNE1CCR1KCNQ1KMT2A
SCHEMBL5122992 0.79 ALDH1A1 (0.42) ALDH1A1KMT2ALMNACALCA
SCHEMBL5128153 0.78 KCNE1 (0.46) ALDH1A1HTTKCNE1CCR1KCNQ1

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 ALDH1A1 1079/4885HTT 4733/4885KCNE1 3742/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP ALDH1A1 1116/4885HTT 4695/4885KCNE1 3858/4885

“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.