SCHEMBL5248967

SCHEMBL5248967

COCC(C)(c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGER4 P35408 1/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5128494 0.89 KCNE1 (0.44) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5125739 0.87 KCNE1 (0.42) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5113300 0.83 KCNE1 (0.45) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5251193 0.83 KCNE1 (0.47) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5128112 0.82 KCNE1 (0.45) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5128216 0.81 CYP2C9 (0.43) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5129385 0.81 KCNE1 (0.47) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5114883 0.80 KMT2A (0.39) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5115356 0.79 KCNE1 (0.46) KCNE1CCR1KCNQ1KMT2ANPSR1
SCHEMBL5124883 0.79 KCNE1 (0.44) KCNE1CCR1KCNQ1KMT2ANPSR1

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
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP claimed
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 claimed

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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP KCNE1 3742/4885CCR1 1592/4885KCNQ1 3236/4885

“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.