SCHEMBL1295342

SCHEMBL1295342

CC(C)(C)OC(=O)NCC(=CCl)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
CTSS P25774 4/20 0.45
CTSK P43235 4/20 0.45
IDO1 P14902 1/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SYK P43405 1/20 0.43
ACE P12821 1/20 0.42
AKT1 P31749 2/20 0.41
KDM4A O75164 1/20 0.41
ATM Q13315 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL1295338 1.00 SIGMAR1 (0.50) SIGMAR1CTSSCTSKIDO1CTSL
SCHEMBL1295270 0.89 GAA (0.48) SIGMAR1CA1ATM
SCHEMBL1296056 0.89 TDP1 (0.43) SIGMAR1CA1NAMPT
SCHEMBL1295275 0.89 GAA (0.48) SIGMAR1CA1ATM
SCHEMBL1295751 0.89 GAA (0.48) SIGMAR1CA1ATM
SCHEMBL1296052 0.89 TDP1 (0.43) SIGMAR1CA1NAMPT
SCHEMBL1295456 0.88 CTSS (0.45) SIGMAR1CTSSCTSKCA1NAMPT
SCHEMBL1294923 0.88 CTSS (0.45) SIGMAR1CTSSCTSKCA1NAMPT
SCHEMBL1294927 0.88 CTSS (0.45) SIGMAR1CTSSCTSKCA1NAMPT
SCHEMBL1294864 0.87 POLB (0.46) SIGMAR1CTSLACEKDM4AATM

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-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 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-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 SIGMAR1 529/4885CTSS 2040/4885CTSK 2789/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 SIGMAR1 529/4885CTSS 2040/4885CTSK 2789/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 SIGMAR1 529/4885CTSS 2040/4885CTSK 2789/4885

“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.