Sugi Predict

Sugi Predict / Compounds / SCHEMBL5567609

SCHEMBL5567609

SCHEMBL5567609

CC(C)(C)OC(=O)[C@H](Cc1ccc(CCCCC(=O)O)s1)NC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.42
▸ ITGA2B P08514 4/20 0.42
▸ ITGAV P06756 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.36
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PRNP P04156 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ EPHX2 P34913 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32

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
SCHEMBL5560208 0.83 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL5566516 0.80 SYK (0.45) ITGB3ITGA2BITGAVALDH1A1CTSS
SCHEMBL5566427 0.79 SYK (0.45) ITGB3ITGA2BITGAVALDH1A1CTSS
SCHEMBL6016141 0.75 ITGB3 (0.56) ITGB3ITGA2BITGAVALDH1A1HDAC1
SCHEMBL5566926 0.73 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL27432610 0.73 ALDH1A1 (0.50) ALDH1A1HDAC1HDAC4KMT2AMEN1
SCHEMBL3892236 0.73 ALDH1A1 (0.50) ALDH1A1HDAC1HDAC4KMT2AMEN1
SCHEMBL5561516 0.72 RXFP1 (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5567114 0.72 ALDH1A1 (0.40) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5561869 0.72 POLB (0.40) ITGB3ITGA2BITGAVALDH1A1LMNA

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
EP-1240161-B1 THIENYLALANINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2007-04-18 — — EP disclosed
US-6762190-B2 VITRONECTIN RECEPTOR ANTAGONISTS; SUPPRESSING OSTEOCLAST BONE RESORPTION; PREVENTING ANGIOGENESIS OR VASCULAR SMOOTH MUSCLE PROLIFERATION AVENTIS PHARMA S.A. DEUTSCHLAND GMBH GENENTECH, INC. (DE) 2004-07-13 — — US disclosed
US-20030105080-A1 Thienylalanine derivatives as inhibitors of cell adhesion AVENTIS PHARMA S.A. DEUTSCHLAND GMBH (DE) 2003-06-05 — — US disclosed
EP-1240161-A1 THIENYLALANINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2002-09-18 — — EP disclosed
WO-2001044237-A1 THIENYLALANINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-21 — — WO disclosed
EP-1108721-A1 Thienylalanine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2001-06-20 — — 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 (1 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-20030105080-A1 Thienylalanine derivatives as inhibitors of cell adhesion VCAM1, TEK, ADGRF1 ITGB3 5/4885ITGA2B 30/4885ITGAV 31/4885

“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.