SCHEMBL1759946

SCHEMBL1759946

C[C@H](O)[C@H](CCc1ccc(Br)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSS P25774 2/20 0.49
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CA2 P00918 4/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CACNA1B Q00975 1/20 0.43
AAK1 Q2M2I8 5/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK5 Q9Y337 1/20 0.40
MEN1 O00255 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1759943 1.00 CTSK (0.49) CTSKCTSSALDH1A1MAPTCA2
SCHEMBL3722338 0.87 CTSK (0.58) CTSKCTSSCA2CA1CA7
SCHEMBL3757948 0.87 CTSK (0.58) CTSKCTSSCA2CA1CA7
SCHEMBL3757945 0.87 CTSK (0.58) CTSKCTSSCA2CA1CA7
SCHEMBL17713482 0.81 CTSK (0.59) CTSKCTSSALDH1A1MAPTCACNA1B
SCHEMBL1759778 0.81 CTSK (0.50) CTSKCTSSALDH1A1MAPTCA2
SCHEMBL5021238 0.81 KMT2A (0.43) ALDH1A1KMT2AHSP90AA1NPC1RAB9A
SCHEMBL1760151 0.80 CTSK (0.52) CTSKCTSSCACNA1BNPC1RECQL
SCHEMBL16491290 0.80 MAPT (0.48) CTSKCTSSALDH1A1MAPTCA2
SCHEMBL15316224 0.80 CTSK (0.53) CTSKCTSSKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
EP-2635560-B1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-30 EP disclosed
US-8673950-B2 Dihydrooxazol-2-amine derivatives HOFFMANN-LAROCHE INC. (US) 2014-03-18 US disclosed
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
US-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-03 US disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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 (3 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-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 CTSK 2947/4885CTSS 3667/4885ALDH1A1 607/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R CTSK 3622/4885CTSS 3650/4885ALDH1A1 325/4885
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 CTSK 2850/4885CTSS 3618/4885ALDH1A1 595/4885

“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.