SCHEMBL5901349

SCHEMBL5901349

CCCC(C)(C)C(=O)NC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FAAH O00519 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CCR2 P41597 1/20 0.34

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
SCHEMBL20047603 0.87 FAAH (0.45) MMEACECPA1ACE2MEN1
SCHEMBL25028556 0.85 ACACB (0.39) MMEACECPA1ACE2MEN1
SCHEMBL20047507 0.84 RIPK1 (0.47) MMEACECPA1ACE2FAAH
SCHEMBL12308640 0.80 ACE (0.39) MMEACECPA1ACE2MEN1
SCHEMBL15895091 0.78 MMP1 (0.42) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23175980 0.77 ALDH1A1 (0.40) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23502572 0.77 FAAH (0.42) MMEACECPA1ACE2MEN1
SCHEMBL24176580 0.76 TDP1 (0.39) TDP1MEN1KMT2AALDH1A1RIPK1
SCHEMBL22251624 0.74 MME (0.39) MMEACECPA1ACE2MEN1
SCHEMBL2863541 0.74 MME (0.39) MMEACECPA1ACE2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098207-B2 Imidazotriazinones and the use thereof BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-29 — — US disclosed
US-20050267112-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (US) 2005-12-01 — — US disclosed
US-6878708-B2 Imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-04-12 — — US disclosed
US-6858605-B2 Substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2005-02-22 — — US disclosed
EP-1280805-B1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-02-09 — — EP disclosed
US-20040152693-A1 Novel substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. 2004-08-05 — — US disclosed
US-20040097498-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 — — US disclosed
EP-1280805-A1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2003-02-05 — — EP disclosed
WO-2001064677-A1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 — — 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-20040097498-A1 Novel imidazotriazinones and the use thereof CYP4F3, CYP4F2, CYP3A7 MME 3558/4885ACE 289/4885CPA1 2578/4885
US-20050267112-A1 Novel imidazotriazinones and the use thereof CYP3A7, CYP4F2, CYP4F3 MME 3788/4885ACE 345/4885CPA1 2208/4885
US-20040152693-A1 Novel substituted 2,3-benzodiazepine derivatives GABRB2, GABRB3, GABRA2 MME 4270/4885ACE 3395/4885CPA1 3601/4885

“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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