SCHEMBL6654531

SCHEMBL6654531

CC(C)(C)[Si](C)(C)Oc1cc(Cl)cc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.48
HCAR1 Q9BXC0 1/20 0.43
HCAR2 Q8TDS4 1/20 0.39
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 3/20 0.36
PREP P48147 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TTR P02766 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
CREBBP Q92793 1/20 0.34
PLA2G2A P14555 1/20 0.33
WDR5 P61964 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
FABP4 P15090 1/20 0.33

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
SCHEMBL3296656 0.89 CA12 (0.41) TPMTCA12CA1CA9PREP
SCHEMBL6155680 0.89 PLA2G2A (0.41) TPMTCA12CA1CA9PREP
SCHEMBL25665190 0.83 RXRA (0.46) TPMTCA12CA1CA9RXRA
SCHEMBL7558013 0.81 PLA2G2A (0.36) TPMTCA12CA1CA9PREP
SCHEMBL209289 0.81 CA12 (0.41) CA12CA1CA9PREP
SCHEMBL6652205 0.78 TDP1 (0.47)
SCHEMBL29831305 0.77 CA12 (0.40) CA12CA1CA9PREP
SCHEMBL5712241 0.77 CA12 (0.40) CA12CA1CA9PREP
SCHEMBL2989104 0.76 AKR1C3 (0.53) CA12CA1CA9MRGPRX4RXRA
SCHEMBL6542930 0.75 CA1 (0.52) CA12CA1CA9PREPRXRA

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-1070049-B1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-06-30 EP disclosed
US-6635637-B2 Cyclic oxyguanidine derivatives useful as enzyme inhibitors, and particularly to a new class of non- peptidic inhibitors of proteolytic enzymes; treats pancreatitis, thrombosis, ischemia, stroke, restenosis, emphysema and inflammation DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1307432-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-05-07 EP disclosed
US-20020022615-A1 Cyclic oxyguanidine protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-21 US disclosed
WO-2002012207-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-02-14 WO disclosed
US-6344466-B2 ANTITHROMBOTIC ACTIVITY, USE IN INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS INC. 2002-02-05 US disclosed
US-20010031870-A1 Benzamide and sulfonamide substitued aminoguanidines and alkoxyguanidines as protese inhibitors SOLL RICHARD M (US) 2001-10-18 US disclosed
EP-1070049-A1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-24 EP disclosed
WO-1999051571-A1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-10-14 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 (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-20020022615-A1 Cyclic oxyguanidine protease inhibitors PLG, TFPI, PLAT TPMT 1781/4885HCAR1 2039/4885HCAR2 2419/4885
US-20010031870-A1 Benzamide and sulfonamide substitued aminoguanidines and alkoxyguanidines as protese inhibitors PLG, F9, TFPI TPMT 892/4885HCAR1 4054/4885HCAR2 3755/4885

“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.