SCHEMBL1121646

SCHEMBL1121646

O=C(OCC(O)COc1cccc2nc(NC3CCNCC3)oc12)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 2/20 0.39
ELANE P08246 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SSTR5 P35346 3/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
NR4A2 P43354 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
MET P08581 1/20 0.32
FLT3 P36888 1/20 0.32
ADRB1 P08588 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL1121645 0.89 HRH4 (0.42) RPS6KA2ELANEHRH4HRH3MEN1
SCHEMBL1121692 0.84 CYP1A2 (0.42) RPS6KA2ELANEMEN1KMT2ASSTR5
SCHEMBL1121548 0.81 HDAC6 (0.39) HRH4HRH3SSTR5KCNH2
SCHEMBL1121766 0.77 RPS6KA2 (0.45) RPS6KA2ELANESSTR5HCRTR1HCRTR2
SCHEMBL1121486 0.75 RPS6KA2 (0.43) RPS6KA2ELANESSTR5HCRTR1HCRTR2
SCHEMBL1121458 0.73 RPS6KA2 (0.57) RPS6KA2ELANESSTR5HCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL3570071 0.72 RPS6KA2 (0.41) RPS6KA2ELANEHRH4HRH3MEN1
SCHEMBL3577759 0.70 ELANE (0.49) RPS6KA2ELANECYP1A2CYP2C19AURKA
Trifluoroacetic Acid SCHEMBL1121547 0.70 HDAC6 (0.42) HRH4HRH3SSTR5KCNH2MET
SCHEMBL13543060 0.69 RPS6KA2 (0.44) RPS6KA2ELANEMEN1KMT2AHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 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 (2 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R RPS6KA2 2549/4885ELANE 2772/4885HRH4 299/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R RPS6KA2 2549/4885ELANE 2772/4885HRH4 299/4885

“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.