SCHEMBL3615308

SCHEMBL3615308

COc1c2c(c(C(=O)N(C)C[C@H](OC3CCCCO3)C(C)(C)CO)[nH]c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 16/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3615312 1.00 EZH2 (0.33) EZH2HTR2CSLC6A4
SCHEMBL13225935 1.00 EZH2 (0.33) EZH2HTR2CSLC6A4
SCHEMBL4943670 0.94 EZH2 (0.33) EZH2HTR2CSLC6A4
SCHEMBL4943648 0.94 EZH2 (0.33) EZH2HTR2CSLC6A4
SCHEMBL4492829 0.81 AKR1B1 (0.35) EZH2
SCHEMBL14007689 0.79 HTR2C (0.30) HTR2CSLC6A4
SCHEMBL3023303 0.78 EZH2 (0.32) EZH2
SCHEMBL1336823 0.78 EZH2 (0.32) EZH2
SCHEMBL14007687 0.78 HTR2C (0.31) HTR2CSLC6A4
SCHEMBL1336948 0.77 AKR1B1 (0.38) EZH2

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
US-20100216834-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-26 US disclosed
US-20100216834-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-26 US disclosed
EP-2084160-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
US-20080280945-A1 Crystalline forms of an HIV integrase inhibitor MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280945-A1 Crystalline forms of an HIV integrase inhibitor MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280945-A1 Crystalline forms of an HIV integrase inhibitor MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
WO-2008048538-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2008-04-24 WO disclosed
WO-2008048538-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2008-04-24 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 (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-20100216834-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 EZH2 1456/4885HTR2C 4150/4885SLC6A4 2800/4885
US-20080280945-A1 Crystalline forms of an HIV integrase inhibitor TYMP, SAMHD1, ACIN1 EZH2 3779/4885HTR2C 3257/4885SLC6A4 1985/4885

“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.