SCHEMBL6056907

SCHEMBL6056907

CC(C)(C)[C@H](N)C(=O)Nc1nccs1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 7/20 0.57
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
HSPA9 P38646 3/20 0.53
FFAR2 O15552 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSPA2 P54652 1/20 0.52
NR3C1 P04150 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL4119851 1.00 HSPA5 (0.57) HSPA5LMNATSHRHSPA9FFAR2
Hydrochloric Acid SCHEMBL7422746 0.98 HSPA5 (0.56) HSPA5LMNATSHRHSPA9FFAR2
SCHEMBL7873389 0.89 HSPA5 (0.53) HSPA5LMNATSHRHSPA9FFAR2
SCHEMBL7876872 0.83 LMNA (0.59) HSPA5LMNATSHRHSPA9FFAR2
SCHEMBL4119847 0.83 LMNA (0.56) HSPA5LMNATSHRHSPA9FFAR2
SCHEMBL23804604 0.83 LMNA (0.59) HSPA5LMNATSHRHSPA9FFAR2
SCHEMBL12884426 0.81 LMNA (0.58) HSPA5LMNATSHRHSPA9FFAR2
Bromide SCHEMBL11317007 0.81 LMNA (0.57) HSPA5LMNATSHRHSPA9FFAR2
Bromide SCHEMBL11310643 0.80 LMNA (0.57) HSPA5LMNATSHRHSPA9FFAR2
SCHEMBL7868173 0.79 LMNA (0.56) HSPA5LMNATSHRHSPA9FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US claimed
US-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
EP-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
US-5919940-A TERT-LEUCINE-THIAZOL-2-YLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-07-06 US disclosed
US-5859253-A L-TERT-LEUCINE-2-PYRIDYLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-12 US disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP disclosed
US-5747514-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-05 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-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors TPSAB1, CMA1, TPSG1 HSPA5 3822/4885LMNA 1521/4885TSHR 807/4885

“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.