SCHEMBL7099517

SCHEMBL7099517

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2cn(Cc3ccc(Cl)c(Cl)c3)cn2)C(=O)O)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRHDE Q9UKU6 1/20 0.40
TRHR P34981 1/20 0.40
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
CPB2 Q96IY4 5/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
FPR2 P25090 1/20 0.34
GRM5 P41594 1/20 0.34
CPB1 P15086 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
SCHEMBL7099521 1.00 TRHDE (0.40) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7104066 0.94 NPSR1 (0.38) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7104061 0.94 NPSR1 (0.38) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7103872 0.92 TRHR (0.41) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7103875 0.92 TRHR (0.41) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7104341 0.90 TRHR (0.37) TRHDETRHRCPB2CPB1
SCHEMBL7104344 0.90 TRHR (0.37) TRHDETRHRCPB2CPB1
SCHEMBL7099205 0.90 TRHR (0.48) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7099203 0.90 TRHR (0.48) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7103519 0.88 TRHDE (0.50) TRHDETRHRNPSR1MEN1KMT2A

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
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 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 (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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 TRHDE 4821/4885TRHR 4768/4885NPSR1 1330/4885

“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.