SCHEMBL3942599

SCHEMBL3942599

CC(C)Oc1c(-c2ccc(F)cc2)c(=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.37
▸ TYMP P19971 1/20 0.34
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ GCGR P47871 4/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ PGR P06401 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ CSNK1D P48730 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
SCHEMBL7541194 0.82 HTT (0.33) PTGS2ALDH1A1NPSR1
SCHEMBL3943393 0.81 MAPT (0.46) ALDH1A1NPSR1
SCHEMBL7535266 0.81 PTPN5 (0.40) BCL9CTNNB1
SCHEMBL7536375 0.81 PTGS2 (0.44) PTGS2ALDH1A1MAOB
SCHEMBL7541985 0.78 IRAK4 (0.38) ALDH1A1
SCHEMBL8902496 0.75 MAPK14 (0.39) PTGS2ALDH1A1NPSR1MAPK14
SCHEMBL3934774 0.69 HDAC4 (0.45) ALDH1A1MAOBNPSR1
SCHEMBL8564127 0.69 KMT2A (0.39) PTGS2ALDH1A1NPSR1
SCHEMBL9766788 0.69 MAPT (0.52) PTGS2TYMPALDH1A1MAPK14
SCHEMBL12164744 0.69 PTPN5 (0.50) ALDH1A1MAOAMAOBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013170-B1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 — — EP disclosed
US-7501419-B2 4-Squarylpiperazine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 — — US disclosed
EP-2013170-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2009-01-14 — — EP disclosed
EP-1895613-A1 ELECTROLYTE CONTAINING OXOCARBON MOLECULE AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-03-05 — — EP disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 — — WO disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — 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-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents MAVS, MTAP, SAMHD1 PTGS2 1835/4885TYMP 5/4885BCL9 1833/4885

“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.

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