SCHEMBL2441047

SCHEMBL2441047

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nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 0.36
DPP4 P27487 7/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
DPP8 Q6V1X1 5/20 0.32
DPP9 Q86TI2 4/20 0.32
DPP7 Q9UHL4 3/20 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
SCHEMBL8234473 0.87 FAAH (0.36) FAAHNAAADPP4POLBALDH1A1
SCHEMBL17234244 0.84 MME (0.31)
SCHEMBL22122404 0.83 RAB9A (0.41) FAAHNAAAPOLBALDH1A1TSHR
SCHEMBL2059432 0.83 RAB9A (0.41) FAAHNAAAPOLBALDH1A1TSHR
SCHEMBL2433549 0.81 MAPK1 (0.36) FAAHNAAADPP4POLBALDH1A1
SCHEMBL22636281 0.80 POLB (0.33) POLB
SCHEMBL22636279 0.80 POLB (0.33) POLB
SCHEMBL23722993 0.78 EP300 (0.32) DPP4
SCHEMBL22636083 0.78 EP300 (0.32) DPP4
SCHEMBL22636081 0.78 EP300 (0.32) DPP4

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-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 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 (3 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 FAAH 2457/4885NAAA 684/4885DPP4 497/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP FAAH 1928/4885NAAA 516/4885DPP4 140/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP FAAH 1928/4885NAAA 516/4885DPP4 140/4885

“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.