SCHEMBL69963

SCHEMBL69963

CCCSC(=O)c1cccc(C(=O)SCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
APP P05067 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MAOB P27338 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL27501402 0.88 ALDH1A1 (0.49) NOS3NOS1NOS2KMT2AALDH1A1
SCHEMBL6057351 0.86 KMT2A (0.50) SMN1; SMN2TDP1KMT2AALDH1A1MAPT
Ditophal SCHEMBL2109565 0.83 NOS3 (0.46) SMN1; SMN2NOS3NOS1NOS2TDP1
SCHEMBL31626698 0.77 TTR (0.54) SMN1; SMN2TDP1KMT2AALDH1A1MAPT
SCHEMBL17702607 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTL3MBTL1GAA
SCHEMBL29742700 0.75 MAOB (0.45) TDP1ALDH1A1L3MBTL1APPHSD17B10
SCHEMBL6057163 0.74 ALDH1A1 (0.57) KMT2AALDH1A1MAPTCES2CES1
SCHEMBL11653526 0.73 ALDH1A1 (0.45) NOS3NOS1NOS2TDP1KMT2A
SCHEMBL778106 0.73 HPGD (0.54) SMN1; SMN2TDP1KMT2AALDH1A1MAPT
SCHEMBL6057406 0.73 CES2 (0.51) KMT2AALDH1A1CES2CES1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 SMN1; SMN2 4357/4885NOS3 3048/4885NOS1 3627/4885

“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.