SCHEMBL5362813

SCHEMBL5362813

C=CC(NC(=O)OCc1ccccc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
OPRK1 P41145 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTPN7 P35236 1/20 0.47
OPRM1 P35372 1/20 0.47
HTT P42858 1/20 0.47
DUSP3 P51452 1/20 0.47
ATM Q13315 1/20 0.47
TGM2 P21980 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SYK P43405 1/20 0.45
CTSK P43235 2/20 0.45
TACR1 P25103 2/20 0.45

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
SCHEMBL10050609 0.88 OPRK1 (0.48) CTRB1CTSLCTSSOPRK1MEN1
SCHEMBL10050950 0.88 OPRK1 (0.48) CTRB1CTSLCTSSOPRK1MEN1
SCHEMBL22698698 0.86 SYK (0.51) CTRB1CTSLCTSSOPRK1MEN1
SCHEMBL7405303 0.80 CTRB1 (0.55) CTRB1CTSLCTSSALDH1A1LMNA
SCHEMBL758144 0.78 CTRB1 (0.54) CTRB1CTSLCTSSOPRK1MEN1
SCHEMBL22118319 0.78 CTRB1 (0.54) CTRB1LMNASMN1; SMN2HTTATM
SCHEMBL7372388 0.78 CTRB1 (0.54) CTRB1LMNASMN1; SMN2HTTATM
SCHEMBL8173806 0.78 CTRB1 (0.54) CTRB1LMNASMN1; SMN2HTTATM
SCHEMBL937973 0.78 ATM (0.57) CTRB1CTSLCTSSATMCTSK
SCHEMBL937972 0.78 ATM (0.57) CTRB1CTSLCTSSATMCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189680-B2 5-halo-6-aryl[1,2,4]triazolo[1,5-a]pyrimidin-7-amines BAYER CROPSCIENCE AG (DE) 2007-03-13 US disclosed
US-7189680-B2 5-halo-6-aryl[1,2,4]triazolo[1,5-a]pyrimidin-7-amines BAYER CROPSCIENCE AG (DE) 2007-03-13 US disclosed
US-7189680-B2 5-halo-6-aryl[1,2,4]triazolo[1,5-a]pyrimidin-7-amines BAYER CROPSCIENCE AG (DE) 2007-03-13 US disclosed
US-7186831-B2 5-halo-2-alkyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amines BAYER CROPSCIENCE LP (DE) 2007-03-06 US disclosed
US-7186831-B2 5-halo-2-alkyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amines BAYER CROPSCIENCE LP (DE) 2007-03-06 US disclosed
US-7186831-B2 5-halo-2-alkyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amines BAYER CROPSCIENCE LP (DE) 2007-03-06 US disclosed
US-20060089499-A1 Pyrazolopyrimidines and the use thereof for controlling harmful organisms UWW VENTURES UNLIMITED (GB) 2006-04-27 US disclosed
US-20040176398-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2004-09-09 US disclosed
US-20040157863-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2004-08-12 US disclosed
US-20040142943-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2004-07-22 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 (4 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-20060089499-A1 Pyrazolopyrimidines and the use thereof for controlling harmful organisms PRDX1, PRDX2, PRDX5 CTRB1 864/4885CTSL 4394/4885CTSS 4263/4885
US-20040157863-A1 Triazolopyrimidines Q6ZSR9, UMPS, MRPL21 CTRB1 2453/4885CTSL 4275/4885CTSS 3203/4885
US-20040176398-A1 Triazolopyrimidines Q6ZSR9, UMPS, UPP1 CTRB1 1024/4885CTSL 3615/4885CTSS 1685/4885
US-20040142943-A1 Triazolopyrimidines Q6ZSR9, UMPS, ARG1 CTRB1 1115/4885CTSL 3325/4885CTSS 1262/4885

“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.