SCHEMBL4804297

SCHEMBL4804297

CC(C)(C)[Si](C)(C)Oc1ccc(-c2scc(Br)c2CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
PPARD Q03181 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
BACE1 P56817 2/20 0.34
MEN1 O00255 2/20 0.34
PTPN1 P18031 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE3A Q14432 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
GAA P10253 1/20 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
SCHEMBL4816021 0.82 BACE1 (0.51) PREPKDM4EALDH1A1PPARDBACE1
SCHEMBL4811986 0.78 PTGDR2 (0.45) PTGDR2BACE1RAB9AGAA
SCHEMBL2506528 0.75 SRD5A2 (0.46) PREPKDM4EALDH1A1HPGDPPARD
SCHEMBL4815057 0.75 BACE1 (0.48) KDM4EALDH1A1HPGDPTGDR2BACE1
SCHEMBL15876183 0.71 HSD17B10 (0.43) PREPKDM4EPTGS1CA12CA1
SCHEMBL4945239 0.68 PREP (0.44) PREPPTGDR2PTGS1PTGS2
SCHEMBL23491348 0.68 PREP (0.57) PREPKDM4ERAB9ACA12CA1
SCHEMBL4811295 0.68 HTT (0.47) ALDH1A1HPGDBACE1RAB9A
SCHEMBL4811023 0.67 KDM4E (0.38) KDM4EALDH1A1MEN1MAPTRAB9A
SCHEMBL15096392 0.67 IDO1 (0.42) PREPHPGDRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US disclosed
WO-2006088694-A1 SUBSTITUTED THIENYL AND FURYL ACYLGUANIDINES AS β-SECRETASE MODULATORS WYETH (US) 2006-08-24 WO disclosed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 US 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-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators BACE1, BACE2, PSEN1 PREP 50/4885KDM4E 1194/4885ALDH1A1 1489/4885

“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.