SCHEMBL2402196

SCHEMBL2402196

NC(=O)C(C(=O)O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
SRC P12931 1/20 0.45
KCNN4 O15554 4/20 0.44
CNR2 P34972 1/20 0.44
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL1274051 0.90 CES2 (0.50) GAACES2CES1SRCKCNN4
SCHEMBL4245530 0.90 GAA (0.53) GAACES2CES1KCNN4CNR2
SCHEMBL11216011 0.82 CES2 (0.44) GAACES2CES1SRCKCNN4
SCHEMBL8209123 0.82 CES2 (0.44) GAACES2CES1SRCCNR2
SCHEMBL10624395 0.78 SRC (0.46) GAASRC
SCHEMBL2628067 0.78 GAA (0.50) GAACES2CES1KCNN4CNR2
SCHEMBL29557378 0.78 GAA (0.50) GAACES2CES1KCNN4CNR2
SCHEMBL15430213 0.78 GAA (0.50) GAACES2CES1KCNN4CNR2
SCHEMBL6774538 0.78 CES2 (0.61) GAACES2CES1KCNN4CNR2
SCHEMBL27967493 0.78 GAA (0.50) GAACES2CES1KCNN4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 GAA 1186/4885CES2 551/4885CES1 470/4885

“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.