SCHEMBL7104061

SCHEMBL7104061

COC(=O)[C@H](Cc1cn(Cc2ccc(Cl)c(Cl)c2)cn1)NC(=O)C1CCC(C)(C(=O)O)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
YAP1 P46937 1/20 0.37
TRHR P34981 1/20 0.37
TRHDE Q9UKU6 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
NOS2 P35228 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
GRM5 P41594 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL7104066 1.00 NPSR1 (0.38) NPSR1MEN1KMT2AYAP1TRHR
SCHEMBL7099521 0.94 TRHDE (0.40) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7099517 0.94 TRHDE (0.40) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7098746 0.90 YAP1 (0.34) YAP1TRHRTRHDENOS2KDM4E
SCHEMBL7098748 0.90 YAP1 (0.34) YAP1TRHRTRHDENOS2KDM4E
SCHEMBL7104341 0.86 TRHR (0.37) YAP1TRHRTRHDE
SCHEMBL7104344 0.86 TRHR (0.37) YAP1TRHRTRHDE
SCHEMBL7103875 0.85 TRHR (0.41) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7103872 0.85 TRHR (0.41) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7099084 0.85 NPSR1 (0.43) NPSR1MEN1KMT2ATRHRTRHDE

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 NPSR1 1330/4885MEN1 1388/4885KMT2A 4158/4885

“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.