SCHEMBL13645878

SCHEMBL13645878

CC(=O)NC(C)c1cccc(OC(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.58
ACACA Q13085 10/20 0.58
POLB P06746 1/20 0.50
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48

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
SCHEMBL14380839 0.87 ACACB (0.67) ACACBACACAPOLBMTNR1AMTNR1B
SCHEMBL6969020 0.87 ACACB (0.67) ACACBACACAPOLBMTNR1AMTNR1B
SCHEMBL13645881 0.82 ACACB (0.61) ACACBACACAMTNR1AMTNR1B
SCHEMBL21295116 0.82 ACACB (0.56) ACACBACACAPOLB
SCHEMBL13645817 0.82 ACACB (0.50) ACACBACACAPOLBMTNR1AMTNR1B
SCHEMBL29675897 0.81 ACACB (0.60) ACACBACACAMTNR1AMTNR1B
SCHEMBL18475311 0.80 CASR (0.43) POLB
SCHEMBL13645850 0.79 ACACB (0.71) ACACBACACAMTNR1AMTNR1B
SCHEMBL13645876 0.79 ACACB (0.55) ACACBACACAMTNR1AMTNR1B
SCHEMBL13759315 0.78 GPR139 (0.49) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ACACB 4200/4885ACACA 3231/4885POLB 4498/4885

“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.