SCHEMBL3603403

SCHEMBL3603403

COC(=O)c1cc(O)cc(I)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.73
CA2 P00918 8/20 0.73
CA12 O43570 7/20 0.73
CA7 P43166 7/20 0.73
CA9 Q16790 7/20 0.73
CA14 Q9ULX7 7/20 0.73
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
XDH P47989 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FUT7 Q11130 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.46
CNR2 P34972 1/20 0.43

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
SCHEMBL231885 0.87 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL475680 0.87 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL46504 0.85 CA12 (0.91) CA1CA2CA12CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.85 CA1 (1.00) CA1CA2CA12CA7CA9
SCHEMBL15580328 0.80 CA12 (0.45) CA1CA2CA12CA7CA9
SCHEMBL30530249 0.80 KDM4E (0.50) CA1CA2CA12CA7CA9
SCHEMBL3354749 0.80 KDM4E (0.50) CA1CA2CA12CA7CA9
SCHEMBL16925556 0.80 ATM (0.52) CA1CA2CA12CA7CA9
SCHEMBL16960586 0.80 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL31401260 0.80 ATM (0.52) CA1CA2CA12CA7CA9

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
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
EP-2185570-B1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
CN-101712657-A heteroarylcarbamoylbenzene derivative BANYU PHARMA CO LTD 2010-05-26 CN disclosed
CN-100591671-C Heteroarylcarbamoylbenzene derivatives BANYU PHARMA CO LTD 2010-02-24 CN disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
CN-1777589-A Heteroarylcarbamoylbenzene derivatives BANYU PHARMA CO LTD (JP) 2006-05-24 CN disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK CA1 2194/4885CA2 593/4885CA12 2609/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 CA1 3859/4885CA2 1370/4885CA12 3515/4885

“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.