SCHEMBL1336823

SCHEMBL1336823

COc1c2c(c(C(=O)N(C)CCC[C@H](O)CO)[nH]c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 17/20 0.32
HTR2A P28223 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL3023303 1.00 EZH2 (0.32) EZH2HTR2AGRM2
SCHEMBL4492829 0.86 AKR1B1 (0.35) EZH2HTR2AGRM2
SCHEMBL1336948 0.82 AKR1B1 (0.38) EZH2HTR2AGRM2
SCHEMBL4484368 0.79 MEN1 (0.39) EZH2
SCHEMBL13225935 0.78 EZH2 (0.33) EZH2
SCHEMBL3615308 0.78 EZH2 (0.33) EZH2
SCHEMBL3615312 0.78 EZH2 (0.33) EZH2
SCHEMBL6032269 0.77 P2RX7 (0.37) EZH2HTR2AGRM2
SCHEMBL4486283 0.77 P2RX7 (0.37) EZH2HTR2AGRM2
SCHEMBL1337491 0.77 SMN1; SMN2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
US-20130178468-A1 HIV INTEGRASE INHIBITORS VACCA JOSEPH P (US) 2013-07-11 US disclosed
US-8293731-B2 HIV integrase inhibitors Merck Sharp + Dohme Corp. (US) 2012-10-23 US disclosed
US-20110275621-A1 HIV INTEGRASE INHIBITORS SCHERING CORPORATION 2011-11-10 US disclosed
US-7968564-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-06-28 US disclosed
US-20100204201-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-7741315-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 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 (4 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-20090054399-A1 HIV INTEGRASE INHIBITORS REV1, POLR1A, POLR2H EZH2 1889/4885HTR2A 4693/4885GRM2 4796/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI EZH2 1938/4885HTR2A 4698/4885GRM2 4801/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI EZH2 1938/4885HTR2A 4698/4885GRM2 4801/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI EZH2 1938/4885HTR2A 4698/4885GRM2 4801/4885

“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.