SCHEMBL5201387

SCHEMBL5201387

CCOC(=O)[C@@](C)(N)Cc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
CYP2A6 P11509 1/20 0.42
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.42
CNR2 P34972 1/20 0.42
MMP8 P22894 1/20 0.42
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL5201595 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTSHRCYP2A6LMNA
SCHEMBL5201384 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTSHRCYP2A6LMNA
SCHEMBL29277106 0.82 CYP2A6 (0.44) SMN1; SMN2MAPTTSHRCYP2A6LMNA
SCHEMBL9386400 0.82 BLM (0.63) SMN1; SMN2MAPTTSHRBLMCNR2
SCHEMBL9386398 0.82 BLM (0.63) SMN1; SMN2MAPTTSHRBLMCNR2
SCHEMBL539357 0.82 PPARA (0.45) MAPTTSHRBLMEPHX2LOXL2
SCHEMBL539358 0.82 PPARA (0.45) MAPTTSHRBLMEPHX2LOXL2
SCHEMBL5205923 0.81 MMP8 (0.48) SMN1; SMN2MAPTTSHRLMNABLM
SCHEMBL6974147 0.81 MMP8 (0.48) SMN1; SMN2MAPTTSHRLMNABLM
SCHEMBL1773480 0.81 CYP3A4 (0.55) SMN1; SMN2MAPTTSHRLMNABLM

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
EP-1284973-B1 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2007-06-27 EP disclosed
US-6699888-B2 ANTIINFLAMMATORY TANABE SEIYAKU CO., LTD. (JP) 2004-03-02 US disclosed
US-20030225138-A1 Inhibitors of alpha l beta 2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-12-04 US disclosed
EP-1284973-A2 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-02-26 EP disclosed
WO-2001092253-A2 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-12-06 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 (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-20030225138-A1 Inhibitors of alpha l beta 2 mediated cell adhesion ICAM1, VCAM1, SELL SMN1; SMN2 3716/4885MAPT 2961/4885TSHR 4166/4885

“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.