SCHEMBL2199302

SCHEMBL2199302

CC(C)(C)[Si](C)(C)Oc1ccc2c(CBr)noc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
PPARG P37231 10/20 0.38
PPARD Q03181 10/20 0.38
PPARA Q07869 10/20 0.38
ACHE P22303 1/20 0.37
PREP P48147 2/20 0.35
CYP1A2 P05177 2/20 0.32
GRM4 Q14833 2/20 0.32

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
SCHEMBL26083923 0.82 ACHE (0.47) CA12CA1CA9ACHE
SCHEMBL2201085 0.81 CA12 (0.49) CA12CA1CA9PPARGPPARD
SCHEMBL12424007 0.76 PPARG (0.37) CA12CA1CA9PPARGPPARD
SCHEMBL4406390 0.73 MAPT (0.46)
SCHEMBL3523748 0.72 ACHE (0.45) CA12CA1CA9ACHE
SCHEMBL2292629 0.71 CA12 (0.44) CA12CA1CA9PREP
SCHEMBL2774476 0.70 ACHE (0.42) ACHE
SCHEMBL9688281 0.70 ALDH1A1 (0.42) CA12CA1CA9ACHE
SCHEMBL19141923 0.70 ACHE (0.47) ACHE
SCHEMBL30043665 0.70 CA1 (0.61) CA12CA1CA9PREP

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
US-8173679-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2012-05-08 US disclosed
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2011-09-29 US disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US disclosed
EP-1812404-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS THERAMEX (MC) 2011-06-15 EP disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 US disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 US disclosed
EP-1812404-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2007-08-01 EP disclosed
WO-2006040351-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2006-04-20 WO disclosed
EP-1647549-A1 Indazoles, benzisoxazoles and benzisothiazoles as estrogenic agents LABORATOIRE THERAMEX (MC) 2006-04-19 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-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 CA12 4002/4885CA1 3146/4885CA9 2904/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 CA12 4002/4885CA1 3146/4885CA9 2904/4885

“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.