SCHEMBL4811023

SCHEMBL4811023

COC(=O)Cc1c(Br)csc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RXRA P19793 2/20 0.37
CSNK2A1 P68400 5/20 0.37
CSNK2A2 P19784 4/20 0.37
GAA P10253 3/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK10 P53779 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL5803006 0.76 MAPK1 (0.45) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4815057 0.70 BACE1 (0.48) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL479979 0.69 CYP4F2 (0.61) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3550978 0.66 FOLH1 (0.50) KDM4ERXRAHTTKMT2AHSD17B10
SCHEMBL19475215 0.66 KMT2A (0.49) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
Terephthalic Acid SCHEMBL20676741 0.65 HTT (0.54) RAB9AALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL14645421 0.64 KMT2A (0.54) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL14646005 0.64 MAPT (0.46) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
Terephthalic Acid SCHEMBL10444567 0.64 TSHR (0.62) ALDH1A1SMN1; SMN2HTTCA1CA2
SCHEMBL14918369 0.64 CA1 (0.52) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2

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 KDM4E 1194/4885RAB9A 666/4885ALDH1A1 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.