SCHEMBL3333953

SCHEMBL3333953

O=C(O)[C@@H]1[C@@H](CCc2ccc3c(c2)OCO3)C(=O)N1C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
FAAH O00519 2/20 0.53
RAB9A P51151 3/20 0.52
TPSAB1 Q15661 4/20 0.52
TPSD1 Q9BZJ3 4/20 0.52
TPSG1 Q9NRR2 4/20 0.52
NAMPT P43490 2/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL3336016 0.90 FAAH (0.54) TSHRFAAHRAB9ATPSAB1TPSD1
SCHEMBL11695764 0.72 RAB9A (0.76) TSHRFAAHRAB9ANPC1PKM
SCHEMBL14901035 0.69 RAB9A (0.66) TSHRFAAHRAB9ANPC1PKM
SCHEMBL3600828 0.69 FAAH (1.00) TSHRFAAHRAB9ALMNANPC1
SCHEMBL3335679 0.69 TPSAB1 (0.48) FAAHRAB9ATPSAB1TPSD1TPSG1
SCHEMBL3335307 0.68 TPSAB1 (0.54) TSHRFAAHRAB9ATPSAB1TPSD1
Hydrochloric Acid SCHEMBL3605147 0.68 FAAH (0.98) TSHRFAAHRAB9ALMNANPC1
SCHEMBL8257538 0.68 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL3339769 0.68 TPSAB1 (0.59) TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL3335469 0.68 TPSAB1 (0.68) TPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD TSHR 414/4885FAAH 906/4885RAB9A 453/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TSHR 414/4885FAAH 906/4885RAB9A 453/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TSHR 414/4885FAAH 906/4885RAB9A 453/4885

“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.