SCHEMBL3375842

SCHEMBL3375842

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNE1 P15382 1/20 0.39
CCR1 P32246 1/20 0.39
KCNQ1 P51787 1/20 0.39
KCNH2 Q12809 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGLN1 Q9GZT9 2/20 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
SCHEMBL3504882 0.82 MMP13 (0.41) KCNE1CCR1KCNQ1
SCHEMBL5127902 0.79 KCNE1 (0.41) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL5248354 0.79 KCNE1 (0.43) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL5121784 0.78 KCNE1 (0.43) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL13405293 0.78 KCNE1 (0.38) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL5123957 0.76 ALDH1A1 (0.43) KMT2ALMNAALDH1A1L3MBTL1ERCC1
SCHEMBL14609883 0.75 KCNE1 (0.41) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL5128685 0.75 ALDH1A1 (0.39) KMT2AMAPK1NPSR1KCNE1CCR1
SCHEMBL5121419 0.75 SMN1; SMN2 (0.45) KMT2AKCNE1CCR1KCNQ1ALDH1A1
SCHEMBL5139760 0.74 SMN1; SMN2 (0.54) LMNAKCNE1CCR1KCNQ1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338141-A1 HIV INTEGRASE INHIBITORS ISAACS RICHARD C (US) 2013-12-19 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
WO-2010042391-A2 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 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-20130338141-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A KMT2A 1215/4885MEN1 3763/4885LMNA 815/4885
US-20100087419-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A KMT2A 1215/4885MEN1 3763/4885LMNA 815/4885

“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.