SCHEMBL2218644

SCHEMBL2218644

COc1cc(C(=O)O)cc(N)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
PKM P14618 2/20 0.56
CA3 P07451 1/20 0.56
CA5A P35218 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
PTGS2 P35354 1/20 0.53
HTT P42858 3/20 0.50
TPMT P51580 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL19438706 0.87 CA1 (0.67) CA12CA1CA2CA4CA6
SCHEMBL6169559 0.81 HTT (0.62) CA12CA1CA2CA4CA6
SCHEMBL21723570 0.81 CA12 (0.60) CA12CA1CA2CA4CA6
SCHEMBL2810884 0.80 HCAR1 (0.46) CA12CA1CA2CA4CA6
SCHEMBL28496437 0.80 TPMT (0.66) CA12CA1CA2CA4CA6
SCHEMBL13671457 0.80 PKM (0.75) CA12CA1CA2CA4CA6
SCHEMBL10337638 0.79 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL1675754 0.79 HTT (0.59) CA12CA1CA2CA4CA6
SCHEMBL18113015 0.79 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL28306097 0.76 CA12 (0.53) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351731-B1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE INST MED BIOTECHNOLOGY CAMS (CN) 2016-02-10 EP disclosed
US-8710098-B2 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Chinese Academy of Medical Science (CN) 2014-04-29 US disclosed
CN-101367749-B A set of mesidino mesitoyl derivant, preparation and application thereof INST MEDICINAL BIOTECHNOLOGY 2013-04-24 CN disclosed
EP-2351731-A1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2011-08-03 EP disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
CN-101367749-A A set of mesidino mesitoyl derivant, preparation and application thereof MEDICINE AND BIOENGINEERING IN (CN) 2009-02-18 CN 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 CA12 4634/4885CA1 4503/4885CA2 4469/4885

“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.