SCHEMBL9280724

SCHEMBL9280724

COS(=O)(=O)OCC1(COCc2ccccc2)COC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 1/20 0.36
TACR1 P25103 3/20 0.35
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 3/20 0.32
MMP3 P08254 3/20 0.32
MMP9 P14780 2/20 0.32
CA12 O43570 1/20 0.32
LMNA P02545 1/20 0.32
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9280134 0.86 CA2 (0.38) CA1CA2CA9TSHRTACR1
SCHEMBL8304761 0.83 TSHR (0.52) CA1CA2CA9TSHRTACR1
SCHEMBL13929133 0.81 TSHR (0.50) CA1CA2CA9TSHRTACR1
SCHEMBL213520 0.77 TSHR (0.45) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL19415612 0.74 TSHR (0.45) CA1CA2CA9TSHRTACR1
SCHEMBL9274987 0.74 TSHR (0.45) CA1CA2CA9TSHRTACR1
SCHEMBL9281344 0.73 TACR1 (0.42) CA1CA2CA9TSHRTACR1
SCHEMBL4332693 0.73 CA2 (0.59) CA1CA2CA9TSHRCA12
SCHEMBL2035091 0.72 IDO1 (0.41) TSHRTACR1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL29090853 0.71 CA2 (0.57) CA1CA2CA9TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646448-B1 MACROCYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
US-9133224-B2 Macrocyclic kinase inhibitors OSI Pharmaceuticals, LLC (US) 2015-09-15 US disclosed
EP-2646448-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-09 EP disclosed
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
WO-2012074951-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2012-06-07 WO 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-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B CA1 3339/4885CA2 1861/4885CA9 2836/4885

“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.