SCHEMBL5560898

SCHEMBL5560898

CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(CCCCCC(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PRNP P04156 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HPGD P15428 1/20 0.38
▸ RXRA P19793 2/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ F13A1 P00488 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LTB4R Q15722 2/20 0.35
▸ LTA4H P09960 2/20 0.35
▸ NPC1 O15118 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
SCHEMBL5561516 0.99 RXFP1 (0.47) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL5567333 0.85 LTA4H (0.43) HPGDLTA4H
SCHEMBL5566517 0.84 LTA4H (0.43) ALDH1A1HPGDMAPTLTA4H
SCHEMBL5560894 0.77 RXFP1 (0.47) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL5566427 0.76 SYK (0.45) ALDH1A1
SCHEMBL2179325 0.76 RXFP1 (0.66) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL5567114 0.76 ALDH1A1 (0.40) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL5561869 0.76 POLB (0.40) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL5564566 0.75 NPR3 (0.40) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL5566672 0.75 ALDH1A1 (0.38) RXFP1ALDH1A1LMNAPRNPRECQL

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 RXFP1 27/4885ALDH1A1 2525/4885LMNA 541/4885

“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.

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