SCHEMBL2883019

SCHEMBL2883019

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
P2RX7 Q99572 2/20 0.43
MCL1 Q07820 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.41
PPARG P37231 1/20 0.41
PDE8B O95263 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2883241 0.86 MEN1 (0.40) PTGER4ALDH1A1GAAMEN1KMT2A
SCHEMBL2885420 0.82 PTGER4 (0.50) PTGER4ALDH1A1GAAPKMALOX15
SCHEMBL3104054 0.80 PDE1B (0.39) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL16533875 0.78 ALOX15 (0.42) PTGER4MEN1KMT2AALOX15L3MBTL1
SCHEMBL2432735 0.76 PTGER4 (0.72) PTGER4ALDH1A1GAAPKMMEN1
SCHEMBL18549532 0.74 PTGER4 (0.44) PTGER4ALDH1A1GAAPKMMEN1
SCHEMBL18554875 0.74 PTGER4 (0.44) PTGER4ALDH1A1GAAPKMP2RX7
SCHEMBL12168174 0.74 PPARG (0.40) PTGER4GAAMCL1CYP2C9PPARG
SCHEMBL18546469 0.73 PTGER4 (0.44) PTGER4ALDH1A1GAAPKMMCL1
SCHEMBL26971230 0.72 PTPN11 (0.48) PTGER4ALDH1A1GAAPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121638-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-8404856-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-26 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
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
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 PTGER4 3297/4885ALDH1A1 2863/4885GAA 648/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 PTGER4 3297/4885ALDH1A1 2863/4885GAA 648/4885
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2A, RRM2B PTGER4 3519/4885ALDH1A1 2088/4885GAA 688/4885

“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.