SCHEMBL4880917

SCHEMBL4880917

[CH2]C(C)C(NC(=O)c1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.60
TAS1R1 Q7RTX1 9/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PKM P14618 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PTGS2 P35354 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL17822666 0.89 TAS1R3 (0.62) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL5407656 0.89 TAS1R3 (0.62) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL15787070 0.86 TAS1R3 (0.60) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL31611734 0.85 TAS1R3 (0.78) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL11142926 0.82 TAS1R3 (0.67) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL8874795 0.82 MAPK9 (0.54) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL8874793 0.82 MAPK9 (0.54) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL404332 0.81 TAS1R3 (0.59) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL5010361 0.79 TAS1R3 (0.61) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL25496973 0.79 TAS1R3 (0.78) TAS1R3TAS1R1MEN1KMT2ANPC1

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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 TAS1R3 1822/4885TAS1R1 1459/4885MEN1 3014/4885

“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.