SCHEMBL5140147

SCHEMBL5140147

CC1=C(c2ccc(Br)cc2)c2ccc(OCCCCN3CCC3)cc2S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.47
HRH3 Q9Y5N1 6/20 0.47
KCNH2 Q12809 2/20 0.47
KDM4E B2RXH2 4/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 2/20 0.41
LSS P48449 1/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL5035472 0.84 LSS (0.45) RAB9AMAOBLSS
SCHEMBL7110272 0.81 LSS (0.45) RAB9AKDM4ERECQLTDP1HRH2
SCHEMBL5139901 0.81 LSS (0.58) ATML3MBTL1RAB9AHRH3KCNH2
SCHEMBL5140624 0.80 LSS (0.48) KDM4EMAOBLSS
SCHEMBL5038939 0.79 LSS (0.54) ATML3MBTL1RAB9AHRH3KCNH2
SCHEMBL5140921 0.78 LSS (0.47) ALDH1A1LSS
SCHEMBL5140748 0.78 LSS (0.53) LSS
SCHEMBL5140071 0.77 LSS (0.56) ATML3MBTL1RAB9AHRH3KCNH2
SCHEMBL1796398 0.77 HRH3 (0.56) HRH3KCNH2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5140211 0.76 LSS (0.44) MAOBLSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 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 (3 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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 ATM 2018/4885L3MBTL1 1608/4885RAB9A 3566/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ATM 1483/4885L3MBTL1 2178/4885RAB9A 3919/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ATM 1483/4885L3MBTL1 2178/4885RAB9A 3919/4885

“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.