SCHEMBL2894653

SCHEMBL2894653

CC(C)n1c(=O)c(OC(=O)C(C)(C)C)c2n(c1=O)C(CCO)CN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HMGCR P04035 1/20 0.33
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
P2RX3 P56373 2/20 0.32
PKM P14618 1/20 0.31
MMP2 P08253 2/20 0.31
MMP1 P03956 2/20 0.31
MMP13 P45452 2/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GRM2 Q14416 1/20 0.31
LMNA P02545 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
SCHEMBL2899620 0.88 HMGCR (0.35) HTTHMGCRL3MBTL1LMNA
SCHEMBL2892013 0.84 GAA (0.36) MEN1KMT2AALDH1A1HTTHMGCR
SCHEMBL2900482 0.81 TP53 (0.34) MEN1KMT2AALDH1A1HTTHMGCR
Hydrochloric Acid SCHEMBL2897527 0.81 TP53 (0.33) MEN1KMT2AALDH1A1HTTHMGCR
SCHEMBL2890889 0.80 ACHE (0.32) MEN1KMT2AALDH1A1HTTHMGCR
SCHEMBL2893707 0.80 KMT2A (0.38) MEN1KMT2AALDH1A1HTTHMGCR
SCHEMBL2900174 0.77 KMT2A (0.38) MEN1KMT2AALDH1A1HTTHMGCR
SCHEMBL4232551 0.76 GAA (0.38) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL4230594 0.74 KMT2A (0.37) MEN1KMT2AALDH1A1HTTHMGCR
SCHEMBL2896911 0.74 TP53 (0.35) ALDH1A1HTTHMGCRTP53P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 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 (1 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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP MEN1 4641/4885KMT2A 1314/4885ALDH1A1 1556/4885

“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.