SCHEMBL5021049

SCHEMBL5021049

CC(C)C[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.49
ALDH1A1 P00352 3/20 0.47
CTSK P43235 7/20 0.47
MMP1 P03956 3/20 0.47
MMP3 P08254 3/20 0.47
EPOR P19235 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
NPC1 O15118 1/20 0.44
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.44
ACE2 Q9BYF1 1/20 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
SCHEMBL9841061 0.87 EPOR (0.50) CTSBALDH1A1CTSKEPORMEN1
SCHEMBL55668 0.87 EPOR (0.52) MMP1MMP3EPORMEN1KMT2A
SCHEMBL56847 0.87 EPOR (0.52) MMP1MMP3EPORMEN1KMT2A
SCHEMBL55669 0.87 EPOR (0.52) MMP1MMP3EPORMEN1KMT2A
SCHEMBL842166 0.85 ALDH1A1 (0.50) ALDH1A1EPORMEN1KMT2ALMNA
SCHEMBL842164 0.85 ALDH1A1 (0.50) ALDH1A1EPORMEN1KMT2ALMNA
SCHEMBL13423933 0.83 ALDH1A1 (0.46) ALDH1A1CTSKMMP1MMP3EPOR
SCHEMBL15448254 0.83 ALDH1A1 (0.47) ALDH1A1EPORKMT2ALMNA
SCHEMBL10315706 0.83 ALDH1A1 (0.47) ALDH1A1EPORKMT2ALMNA
SCHEMBL12799366 0.83 ALDH1A1 (0.47) ALDH1A1EPORKMT2ALMNA

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
US-8536362-B2 β-hydroxy-γ-aminophosphonates and methods for the preparation and use thereof NUCITEC S.A. DE C.V. (MX) 2013-09-17 US disclosed
US-20130079308-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof NUCITEC S.A. DE C.V. (MX) 2013-03-28 US disclosed
US-8178515-B2 β-hydroxy-γ-aminophosphonates and methods for the preparation and use thereof NUCITEC S.A. DE C.V. (MX) 2012-05-15 US disclosed
US-20100087400-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof NUCITEC S.A. DE C.V. (MX) 2010-04-08 US disclosed
US-4990669-A Optically active α-amino aldehydes, process for the preparation thereof, and the use thereof for the stereoselective preparation of optically active β-amino alcohols BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 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-20130079308-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof CPT1A, ACAT1, ABAT CTSB 3480/4885ALDH1A1 670/4885CTSK 3680/4885
US-20100087400-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof CPT1A, ACAT1, ABAT CTSB 3480/4885ALDH1A1 670/4885CTSK 3680/4885

“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.