SCHEMBL8768358

SCHEMBL8768358

COc1cc(C(=O)O)cnc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA3 P07451 1/20 0.53
PKM P14618 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
TPMT P51580 2/20 0.52
PTGS2 P35354 1/20 0.50
HTT P42858 2/20 0.49
TSHR P16473 3/20 0.47
CNR2 P34972 1/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 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
SCHEMBL8787360 0.88 KDM4E (0.50) CA12CA1CA2CA4CA6
SCHEMBL8874902 0.88 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL20943958 0.82 RECQL (0.44) CA12CA1CA2CA4CA6
SCHEMBL22396409 0.82 CA12 (0.40) CA12CA1CA2CA4CA6
SCHEMBL20943959 0.82 RECQL (0.44) CA12CA1CA2CA4CA6
SCHEMBL27393841 0.82 CYP2C9 (0.55) CA12CA1CA2CA7CA9
SCHEMBL8881108 0.82 TSHR (0.53) HTTTSHRLMNAMAPK1P4HTM
SCHEMBL16387002 0.81 CA12 (0.53) CA12CA1CA2CA4CA6
SCHEMBL29612133 0.81 PTGS2 (0.55) CA12CA1CA2CA4CA6
SCHEMBL7652014 0.81 PTGS2 (0.55) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658933-A Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
EP-0673931-B1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AG (DE) 1997-08-13 EP disclosed
US-5620996-A Sulfonamidocarbonyl pyridine-2-carboxesteramides and their pyridine-N-oxide compounds and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5610172-A Sulfonamidocarbonylpyridine-2-carboxamides and pyridine-n-oxides which are useful as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed
EP-0650961-B1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0650960-B1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0673931-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
EP-0673932-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
CN-1107144-A Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals HOECHST AG (DE) 1995-08-23 CN disclosed
CN-1107145-A Substituted heterocyclic carboxamides, their preparation and their use as pharmaceuticals HOECHST AG (DE) 1995-08-23 CN disclosed
EP-0650961-A1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed
EP-0650960-A1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed