SCHEMBL2883241

SCHEMBL2883241

COc1ccc(Cn2nc(C(=O)OC(C)(C)C)c3ccc(F)nc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER4 P35408 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE8B O95263 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
CNR2 P34972 2/20 0.36
CACNA1H O95180 1/20 0.36
POLB P06746 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRM5 P08912 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
SCHEMBL12168174 0.89 PPARG (0.40) PTGER4KDM4EGAAHPGDHSD17B10
SCHEMBL2883019 0.86 PTGER4 (0.46) MEN1KMT2APTGER4ALOX15L3MBTL1
SCHEMBL2883026 0.85 ALOX15 (0.43) PTGER4ALOX15L3MBTL1KDM4EALDH1A1
SCHEMBL12168143 0.76 ALDH1A1 (0.34) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL3104054 0.76 PDE1B (0.39) MEN1KMT2AL3MBTL1PDE8BKDM4E
SCHEMBL4400477 0.75 CNR1 (0.32) KMT2AL3MBTL1KDM4EALDH1A1GLA
SCHEMBL12188146 0.74 KDM4E (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL16533875 0.73 ALOX15 (0.42) MEN1KMT2APTGER4ALOX15L3MBTL1
SCHEMBL2885420 0.72 PTGER4 (0.50) PTGER4ALOX15L3MBTL1KDM4EALDH1A1
SCHEMBL13347985 0.70 PTGDR2 (0.54) PTGER4ALOX15L3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-7781454-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7781454-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
EP-2121638-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
WO-2008076223-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO 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 (3 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-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors RNGTT, RRM2B, RRM2 MEN1 4555/4885KMT2A 576/4885PTGER4 3297/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 MEN1 4555/4885KMT2A 576/4885PTGER4 3297/4885
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2A, RRM2B MEN1 4702/4885KMT2A 805/4885PTGER4 3519/4885

“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.