SCHEMBL13645917

SCHEMBL13645917

CCOCCCC(C)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 7/20 0.45
TSHR P16473 2/20 0.44
ACACB O00763 6/20 0.44
ALDH1A1 P00352 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37

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
SCHEMBL19275098 0.95 PLA2G2C (0.47) PLA2G2CTSHRACACBALDH1A1TRPV1
SCHEMBL13645912 0.89 ACACB (0.46) PLA2G2CTSHRACACBALDH1A1TRPV1
SCHEMBL13645958 0.81 ACACB (0.47) PLA2G2CTSHRACACBALDH1A1TRPV1
SCHEMBL2760205 0.78 TAS1R3 (0.50) PLA2G2CACACBTRPV1
SCHEMBL24496938 0.76 MTNR1A (0.49) PLA2G2CACACBALDH1A1MTNR1AMTNR1B
SCHEMBL1805743 0.76 ADH1B (0.48) PLA2G2CTRPV1
SCHEMBL13645884 0.76 ACACB (0.46) PLA2G2CACACBALDH1A1TRPV1MTNR1A
SCHEMBL7217246 0.75 ADH1B (0.52) PLA2G2CTRPV1
SCHEMBL15177342 0.75 ADH1B (0.52) PLA2G2CTRPV1
SCHEMBL20149718 0.75 ALDH1A1 (0.41) ACACBALDH1A1TRPV1MTNR1AMTNR1B

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 PLA2G2C 1283/4885TSHR 3257/4885ACACB 4200/4885

“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.