SCHEMBL13645817

SCHEMBL13645817

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.50
ACACA Q13085 7/20 0.50
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
ROCK2 O75116 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6969020 0.82 ACACB (0.67) ACACBACACAPOLBMTNR1AMTNR1B
SCHEMBL13645878 0.82 ACACB (0.58) ACACBACACAPOLBMTNR1AMTNR1B
SCHEMBL14380839 0.82 ACACB (0.67) ACACBACACAPOLBMTNR1AMTNR1B
SCHEMBL1826561 0.82 GPR17 (0.47) ACACBACACAPOLBALDH1A1MEN1
SCHEMBL1825924 0.81 PTGS1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2795994 0.79 MEN1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2799779 0.79 MEN1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1824549 0.79 MEN1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1826835 0.78 ACHE (0.40) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3570817 0.78 PTGS1 (0.54) POLBALDH1A1MTNR1AMTNR1BMEN1

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.