SCHEMBL7098039

SCHEMBL7098039

CC1(C)[C@@H]2CC[C@@]1(C)C(=O)OC2O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP19A1 P11511 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2123135 0.72 LMNA (0.41) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL1643386 0.71 PTPN1 (0.42) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL11274360 0.71 PTPN1 (0.42) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL21649182 0.66 ALDH1A1 (0.42) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL9800275 0.66 PTPN1 (0.38) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL18817586 0.64 ALDH1A1 (0.41) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL15151590 0.64 ALDH1A1 (0.41) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL13244721 0.64 ALDH1A1 (0.41) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL18817582 0.64 ALDH1A1 (0.41) PTPN1ALDH1A1MEN1LMNAMAPT
SCHEMBL503441 0.64 PTPN1 (0.40) PTPN1ALDH1A1MEN1LMNAMAPT

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 disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US 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 PTPN1 1372/4885ALDH1A1 100/4885MEN1 1388/4885

“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.