SCHEMBL3655879

SCHEMBL3655879

C=CCc1cccc2sc(C(=O)O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
AKR1B1 P15121 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL20893420 0.82 MEN1 (0.53) GABRA1GABRB2MEN1KMT2ANPC1
SCHEMBL2360344 0.82 GABRA1 (0.46) GABRA1GABRB2L3MBTL1TP53MEN1
SCHEMBL3654540 0.80 MEN1 (0.39) GABRA1GABRB2L3MBTL1TP53MEN1
SCHEMBL2360291 0.76 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL28532339 0.76 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL3798167 0.76 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL9412069 0.76 ALDH1A1 (0.51) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL3655835 0.75 GABRA1 (0.39) GABRA1GABRB2L3MBTL1TP53MEN1
SCHEMBL6217179 0.74 KMT2A (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29929393 0.73 ALDH1A1 (0.47) HPGDSMN1; SMN2ALDH1A1LMNAMAPT

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
EP-1858841-B1 COMPOSITION FOR STERILIZATION COMPRISING OMEGA-ALKOXYPEROXYCARBOXYLIC ACID FUJIFILM CORP (JP) 2014-11-26 EP disclosed
US-7666354-B2 Composition for sterilization comprising ω-alkoxyperoxycarboxylic acid FUJIFILM CORPORATION (JP) 2010-02-23 US disclosed
EP-1858841-A4 COMPOSITION FOR STERILIZATION COMPRISING w-ALKOXYPEROXYCARBOXYLIC ACID FUJIFILM CORP (JP) 2009-03-18 EP disclosed
US-20080009549-A1 Composition for Sterilization Comprising W-Alkoxyperoxycarboxylic Acid FUJIFILM CORPORATION (JP) 2008-01-10 US disclosed
EP-1858841-A2 COMPOSITION FOR STERILIZATION COMPRISING w-ALKOXYPEROXYCARBOXYLIC ACID FUJIFILM Corporation (JP) 2007-11-28 EP disclosed
US-20070179193-A1 Method for preparing aqueous composition for sterilization FUJIFILM CORPORATION (JP) 2007-08-02 US disclosed
EP-1803350-A2 Method for preparing aqueous composition for sterilization Fujifilm Corporation (JP) 2007-07-04 EP disclosed
WO-2006068306-A2 COMPOSITION FOR STERILIZATION COMPRISING ω-ALKOXYPEROXYCARBOXYLIC ACID FUJIFILM CORPORATION (JP) 2006-06-29 WO disclosed
US-5900256-A AQUEOUS, CORROSION RESISTANCE COTTRELL, LTD. (US) 1999-05-04 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 (2 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-20080009549-A1 Composition for Sterilization Comprising W-Alkoxyperoxycarboxylic Acid OGDH, OXGR1, AKR1C3 GABRA1 848/4885GABRB2 1153/4885L3MBTL1 2893/4885
US-20070179193-A1 Method for preparing aqueous composition for sterilization CYP19A1, OGDH, SDHB GABRA1 1368/4885GABRB2 1504/4885L3MBTL1 4848/4885

“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.