SCHEMBL7104344

SCHEMBL7104344

CC(C)(C)OC(=O)[C@]1(C)CC[C@H](C(=O)N[C@@H](Cc2cn(Cc3ccc(Cl)c(Cl)c3)cn2)C(=O)O)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRHR P34981 1/20 0.37
GLP1R P43220 7/20 0.35
TRHDE Q9UKU6 1/20 0.35
CPB2 Q96IY4 5/20 0.34
P4HB P07237 1/20 0.33
YAP1 P46937 1/20 0.33
KDM1A O60341 1/20 0.33
CPB1 P15086 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
AMY1A P0DUB6 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
SCHEMBL7104341 1.00 TRHR (0.37) TRHRGLP1RTRHDECPB2P4HB
SCHEMBL7098748 0.94 YAP1 (0.34) TRHRGLP1RTRHDEP4HBYAP1
SCHEMBL7098746 0.94 YAP1 (0.34) TRHRGLP1RTRHDEP4HBYAP1
SCHEMBL7099517 0.90 TRHDE (0.40) TRHRTRHDECPB2CPB1
SCHEMBL7099521 0.90 TRHDE (0.40) TRHRTRHDECPB2CPB1
SCHEMBL7104066 0.86 NPSR1 (0.38) TRHRTRHDEYAP1
SCHEMBL7104061 0.86 NPSR1 (0.38) TRHRTRHDEYAP1
SCHEMBL7103872 0.82 TRHR (0.41) TRHRTRHDECPB2CPB1
SCHEMBL7103875 0.82 TRHR (0.41) TRHRTRHDECPB2CPB1
SCHEMBL7099203 0.80 TRHR (0.48) TRHRTRHDECPB2CPB1

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 2 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 disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 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 TRHR 4768/4885GLP1R 3655/4885TRHDE 4821/4885

“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.