SCHEMBL4483643

SCHEMBL4483643

COc1c2c(c(N(C(=O)O)C(C)(C)C)n(C)c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.35
MAOB P27338 2/20 0.33
WDR5 P61964 2/20 0.32
ADORA2A P29274 1/20 0.32
P2RX7 Q99572 8/20 0.32
EZH2 Q15910 1/20 0.32
ENPP2 Q13822 1/20 0.32
FSCN1 Q16658 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4498375 0.86 AKR1B1 (0.32) AKR1B1WDR5P2RX7
SCHEMBL4489713 0.84 CCR2 (0.38) AKR1B1MAOBWDR5ADORA2AP2RX7
SCHEMBL4498372 0.84 P2RX7 (0.34) AKR1B1WDR5P2RX7EZH2
SCHEMBL4484973 0.83 P2RX7 (0.33) MAOBWDR5ADORA2AP2RX7EZH2
SCHEMBL4480439 0.82 P2RX7 (0.35) AKR1B1MAOBWDR5ADORA2AP2RX7
SCHEMBL4477879 0.81 MEN1 (0.38) AKR1B1P2RX7FSCN1SMN1; SMN2KMT2A
SCHEMBL4482140 0.81 P2RX7 (0.39) MAOBWDR5ADORA2AP2RX7EZH2
SCHEMBL4486261 0.80 P2RX7 (0.37) MAOBWDR5ADORA2AP2RX7EZH2
SCHEMBL4479378 0.80 EZH2 (0.37) MAOBWDR5ADORA2AP2RX7EZH2
SCHEMBL4482091 0.78 FSCN1 (0.34) AKR1B1WDR5P2RX7FSCN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H AKR1B1 2248/4885MAOB 3722/4885WDR5 1380/4885

“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.