SCHEMBL354360

SCHEMBL354360

O=C(CBr)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
CYP2C9 P11712 1/20 0.36
EPHX2 P34913 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.33
NLRP3 Q96P20 1/20 0.31
P2RX7 Q99572 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL27742860 0.76 L3MBTL1 (0.42) HSD11B1CYP2C9EPHX2L3MBTL1HSD17B10
SCHEMBL26229896 0.74 HSD11B1 (0.40) HSD11B1CYP2C9EPHX2L3MBTL1HSD17B10
SCHEMBL28913743 0.71 HSD11B1 (0.38) HSD11B1CYP2C9EPHX2L3MBTL1HSD17B10
SCHEMBL8076053 0.71 HSD11B1 (0.38) HSD11B1CYP2C9EPHX2L3MBTL1HSD17B10
SCHEMBL5401965 0.71 HSD11B1 (0.48) HSD11B1CYP2C9EPHX2L3MBTL1HSD17B10
Adamantane SCHEMBL20335270 0.71 TSHR (0.62) HSD11B1
SCHEMBL161392 0.70 HSD11B1 (0.44) HSD11B1CYP2C9EPHX2L3MBTL1HSD17B10
SCHEMBL16698251 0.69 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10
SCHEMBL2181379 0.69 HSD11B1 (0.46) HSD11B1CYP2C9EPHX2L3MBTL1HSD17B10
SCHEMBL19859959 0.69 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187438-B2 Derivatives of benzothiazines, preparation thereof and application thereof as drugs PIERRE FABRE MEDICAMENT (FR) 2015-11-17 US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
EP-2403840-B1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PF MEDICAMENT (FR) 2014-05-14 EP disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
EP-2403840-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS Pierre Fabre Médicament (FR) 2012-01-11 EP disclosed
US-20110319326-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2011-12-29 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
WO-2010100139-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2010-09-10 WO disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-7119156-B2 Resist resin KABUSHIKI KAISHA TOSHIBA (JP) 2006-10-10 US disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 WO disclosed
EP-1206474-B1 SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS ABBOTT LAB (US) 2004-05-26 EP disclosed
US-6472416-B1 Sulfonylphenylpyrazole compounds useful as COX-2 inhibitors ABBOTT LABORATORIES 2002-10-29 US disclosed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US disclosed
EP-1206474-A1 SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS ABBOTT LABORATORIES (US) 2002-05-22 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2001016138-A1 SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS ABBOTT LABORATORIES (US) 2001-03-08 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 (5 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-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay GGT1, FNTA, GGPS1 HSD11B1 251/4885CYP2C9 2217/4885EPHX2 732/4885
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 HSD11B1 2010/4885CYP2C9 3354/4885EPHX2 2234/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HSD11B1 936/4885CYP2C9 2993/4885EPHX2 678/4885
US-20110319326-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS HSD11B1, CYP11B1, HSD17B11 HSD11B1 1/4885CYP2C9 89/4885EPHX2 665/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HSD11B1 705/4885CYP2C9 2005/4885EPHX2 660/4885

“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.