Sugi Predict

Sugi Predict / Compounds / SCHEMBL5021050

SCHEMBL5021050

SCHEMBL5021050

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.40
▸ MMP3 P08254 5/20 0.40
▸ MMP7 P09237 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ LAP3 P28838 2/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IL1RN P18510 2/20 0.34
▸ ERAP2 Q6P179 2/20 0.34
▸ ERAP1 Q9NZ08 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 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
SCHEMBL5021055 1.00 MMP1 (0.40) MMP1MMP3MMP7MMP9MMP2
SCHEMBL2305600 1.00 MMP1 (0.40) MMP1MMP3MMP7MMP9MMP2
SCHEMBL2305614 0.81 HSD17B10 (0.39) MMP1MMP3MMP7MMP9MMP2
SCHEMBL8378631 0.76 TSHR (0.40) MMP1MMP3MMP7MMP9MMP2
SCHEMBL9709386 0.76 TRPA1 (0.39) MMP1MMP3MMP7MMP9MMP2
SCHEMBL8378633 0.76 TSHR (0.40) MMP1MMP3MMP7MMP9MMP2
SCHEMBL16900682 0.75 ALDH1A1 (0.34) MMP1MMP3MMP7MMP9MMP2
SCHEMBL5021056 0.74 MMP1 (0.48) MMP1MMP3MMP7MMP9MMP2
SCHEMBL9328418 0.74 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL2306952 0.74 MMP1 (0.48) MMP1MMP3MMP7MMP9MMP2

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 4 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

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 MMP1 1855/4885MMP3 3216/4885MMP7 2663/4885
US-20100087400-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof CPT1A, ACAT1, ABAT MMP1 1855/4885MMP3 3216/4885MMP7 2663/4885

“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.