SCHEMBL4193467

SCHEMBL4193467

C[N+](CCO)(CCO)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
APEX1 P27695 1/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
PSMD14 O00487 1/20 0.34
PLA2G1B P04054 1/20 0.34
MMP2 P08253 1/20 0.34
RAD52 P43351 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CAMK2A Q9UQM7 1/20 0.32
FFAR3 O14843 1/20 0.32
BBOX1 O75936 5/20 0.31
DNM1 Q05193 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10256352 0.95 TSHR (0.50) TSHRLMNAALDH1A1APEX1MEN1
SCHEMBL16979675 0.91 TSHR (0.42) TSHRLMNAALDH1A1APEX1MEN1
SCHEMBL16271537 0.85 TSHR (0.38) TSHRLMNAALDH1A1APEX1MEN1
SCHEMBL19627553 0.85 BBOX1 (0.41) TSHRLMNAALDH1A1APEX1FFAR3
SCHEMBL16271556 0.85 TSHR (0.38) TSHRLMNAALDH1A1APEX1MEN1
SCHEMBL3257954 0.84 TSHR (0.41) TSHRLMNAALDH1A1APEX1MEN1
SCHEMBL235857 0.80 TSHR (0.65) TSHRLMNAALDH1A1APEX1FFAR3
SCHEMBL20437635 0.79 LMNA (0.39) TSHRLMNAALDH1A1APEX1MEN1
Oxibetaine SCHEMBL9243808 0.79 TSHR (0.50) TSHRLMNAALDH1A1APEX1MEN1
SCHEMBL16271550 0.77 TGFBR1 (0.33) TSHRLMNAALDH1A1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20090042274-A1 Method of Purifying Virus Envelope GENOMIDEA INC. (JP) 2009-02-12 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1783138-A1 METHOD OF PURIFYING VIRUS ENVELOPE GenomIdea Inc. (JP) 2007-05-09 EP disclosed
EP-0649834-A1 Carboxybetaine and sulfobetaine and detergent composition and cosmetic containing the same KAO CORPORATION (JP) 1995-04-26 EP 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-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 TSHR 3208/4885LMNA 1909/4885ALDH1A1 1261/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 TSHR 2972/4885LMNA 2785/4885ALDH1A1 680/4885

“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.