SCHEMBL2899639

SCHEMBL2899639

CC(C)NC(=S)N(C)CCC1CN(Cc2ccc(F)cc2)C(=O)c2c(O)c(=O)n(C(C)C)c(=O)n21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MCHR1 Q99705 1/20 0.32
LMNA P02545 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
P2RX3 P56373 2/20 0.31
HMGCR P04035 1/20 0.31
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30
POLB P06746 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
SCHEMBL2891857 0.91 TP53 (0.39) TP53MCHR1LMNARXFP1P2RX3
SCHEMBL2891360 0.87 ACHE (0.34) TP53P2RX3HMGCRKMT2AHTT
SCHEMBL13085834 0.87 TP53 (0.35) TP53P2RX3HMGCRCYP3A4HTT
SCHEMBL13094093 0.85 HTT (0.35) TP53P2RX3HMGCRKMT2AHTT
SCHEMBL2892030 0.85 P2RX3 (0.33) TP53P2RX3HMGCRKMT2AHTT
SCHEMBL2899638 0.84 TP53 (0.37) TP53MCHR1LMNARXFP1P2RX3
SCHEMBL2900634 0.84 ACHE (0.40) MCHR1HMGCRKMT2AHTT
SCHEMBL2897940 0.83 PTGS1 (0.32) TP53LMNAHMGCRHTT
SCHEMBL2892013 0.82 GAA (0.36) TP53LMNAP2RX3HMGCRKMT2A
SCHEMBL13094381 0.82 HTT (0.31) TP53HTT

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 11 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 claimed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP claimed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US claimed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 WO claimed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 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 (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 TP53 564/4885MCHR1 4458/4885LMNA 2963/4885

“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.