SCHEMBL18455451

SCHEMBL18455451

CSNC(C(=O)O)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CNR2 P34972 2/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EEF2K O00418 2/20 0.36
KCNN4 O15554 1/20 0.36
MC4R P32245 1/20 0.35

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
SCHEMBL2482538 0.76 GAA (0.45) GAACNR2CES2CES1LMNA
SCHEMBL15317055 0.75 EEF2K (0.43) GAACNR2CES2CES1LMNA
SCHEMBL8750846 0.75 MEN1 (0.47) GAACNR2CES2CES1LMNA
SCHEMBL6120380 0.75 MEN1 (0.47) GAACNR2CES2CES1LMNA
SCHEMBL23886688 0.75 GAA (0.44) GAACNR2CES2CES1LMNA
Hydrochloric Acid SCHEMBL2485774 0.75 GAA (0.44) GAACNR2CES2CES1LMNA
SCHEMBL23886691 0.75 GAA (0.44) GAACNR2CES2CES1LMNA
SCHEMBL21279857 0.74 GAA (0.44) GAACNR2CES2CES1LMNA
SCHEMBL5645158 0.71 CNR2 (0.50) GAACNR2CES2CES1LMNA
SCHEMBL5645167 0.71 CNR2 (0.50) GAACNR2CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-02-02 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-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS GAA 61/4885CNR2 4608/4885CES2 739/4885

“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.