SCHEMBL3174245

SCHEMBL3174245

CS(=O)(=O)CCOc1c[c]ccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
FFAR1 O14842 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
MCHR1 Q99705 5/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNA4 P43681 2/20 0.32
KCNA3 P22001 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE4B Q07343 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL3167329 0.92 FFAR1 (0.40) FFAR1MEN1HTTKMT2AKCNA3
SCHEMBL3161443 0.85 PRKDC (0.34) ALDH1A1FFAR1MEN1HTTKMT2A
SCHEMBL5704638 0.80 KCNA3 (0.42) ALDH1A1KCNA3PKM
SCHEMBL3154703 0.79 CA12 (0.37) ALDH1A1FFAR1MEN1HTTKMT2A
SCHEMBL9768771 0.79 ALDH1A1 (0.38) ALDH1A1HTTTP53KCNA3PKM
SCHEMBL16479238 0.78 KCNA3 (0.54) ALDH1A1MEN1HTTKMT2ATP53
SCHEMBL129009 0.77 KMT2A (0.42) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL517096 0.75 PKM (0.38) ALDH1A1MEN1KMT2AKCNA3PKM
SCHEMBL131741 0.75 LTA4H (0.53) ALDH1A1HTTKCNA3HRH3
SCHEMBL921435 0.74 KCNA3 (0.43) ALDH1A1MEN1KMT2AKCNA3PKM

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
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP 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
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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 ALDH1A1 208/4885FFAR1 1849/4885MEN1 728/4885

“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.