SCHEMBL3336583

SCHEMBL3336583

CC[C@@H](NC(=O)N1C(=O)[C@H](C(C=N)N(C)C(=N)N)[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F11 P03951 14/20 0.42
CTRB1 P17538 1/20 0.40
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 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
SCHEMBL3333065 0.75 FKBP1A (0.36) LMNA
SCHEMBL13302774 0.72 TPSAB1 (0.42) F11CTRB1TPSAB1TPSD1TPSG1
SCHEMBL3336596 0.70 F11 (0.41) F11CTRB1TPSAB1TPSD1TPSG1
SCHEMBL4696612 0.69 TPSAB1 (0.41) ALDH1A1HPGDTPSAB1TPSD1TPSG1
SCHEMBL3335460 0.66 TPSAB1 (0.52) KDM4EALDH1A1HPGDTPSAB1TPSD1
SCHEMBL8255254 0.65 ITGB1 (0.53) CTRB1KDM4EALDH1A1LMNAHPGD
SCHEMBL21259798 0.65 ITGB1 (0.53) CTRB1KDM4EALDH1A1LMNAHPGD
SCHEMBL16998476 0.65 F11 (0.72) F11
SCHEMBL27045720 0.65 F11 (0.72) F11
SCHEMBL1185722 0.63 LMNA (0.59) KDM4EALDH1A1LMNAHPGDTSHR

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 F11 17/4885CTRB1 38/4885KDM4E 1463/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD F11 17/4885CTRB1 38/4885KDM4E 1463/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD F11 17/4885CTRB1 38/4885KDM4E 1463/4885

“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.