SCHEMBL5109971

SCHEMBL5109971

COc1ccc(F)cc1-c1ccc(N)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
FFAR4 Q5NUL3 2/20 0.45
ERN1 O75460 1/20 0.44
SYK P43405 1/20 0.43
SLC9A1 P19634 2/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MMEL1 Q495T6 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
FYN P06241 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
RELA Q04206 1/20 0.41
APP P05067 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LRRK2 Q5S007 1/20 0.40
CTSA P10619 1/20 0.40

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
SCHEMBL15997561 0.79 FFAR4 (0.49) FFAR4ERN1SYKSLC9A1MMEL1
SCHEMBL1616245 0.78 ALDH1A1 (0.50) ALDH1A1
SCHEMBL8365224 0.77 ALDH1A1 (0.69) PDCD1CD274FYNAPPALDH1A1
SCHEMBL18593397 0.76 ERN1 (0.56) FFAR4ERN1SYKMMEL1FYN
SCHEMBL2006793 0.75 ERN1 (0.47) FFAR4ERN1SYKSLC9A1PDCD1
SCHEMBL15624568 0.75 SLC9A1 (0.48) ERN1SLC9A1RELAAPPBACE1
SCHEMBL2908313 0.75 PDE4A (0.50) ALDH1A1
SCHEMBL7875700 0.74 ERN1 (0.50) S1PR1FFAR4ERN1SYKMMEL1
SCHEMBL5843621 0.72 FYN (0.46) ERN1FYNALDH1A1
SCHEMBL6608193 0.72 SYK (0.52) S1PR1FFAR4ERN1SYKMMEL1

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-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 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-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 S1PR1 1368/4885FFAR4 1690/4885ERN1 3978/4885

“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.