SCHEMBL20153309

SCHEMBL20153309

CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(OCCCC(C)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
OXTR P30559 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ITGB3 P05106 8/20 0.33
ITGAV P06756 8/20 0.33
ITGB1 P05556 2/20 0.32
ITGA5 P08648 2/20 0.32
JMJD6 Q6NYC1 1/20 0.32
ITGB6 P18564 2/20 0.32
ITGA2B P08514 1/20 0.32
ITGB8 P26012 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX7 Q99572 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL21311520 0.89 ITGB3 (0.37) KDM4EALDH1A1HTTOXTRLMNA
SCHEMBL20153308 0.88 KDM4E (0.35) KDM4EALDH1A1HTTOXTRLMNA
SCHEMBL20153311 0.84 ITGB3 (0.36) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL20153326 0.83 KDM4E (0.40) KDM4EALDH1A1HTTOXTRLMNA
SCHEMBL20153312 0.79 ITGAV (0.57) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL21311585 0.79 OXTR (0.36) KDM4EALDH1A1HTTOXTRLMNA
SCHEMBL21311521 0.77 ITGB3 (0.38) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL21282937 0.77 MTNR1A (0.34) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL20153325 0.77 FYN (0.41) OXTRJMJD6
SCHEMBL21311735 0.77 ITGB3 (0.38) ITGB3ITGAVITGB1ITGA5ITGB6

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-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (3 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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 KDM4E 1484/4885ALDH1A1 491/4885HTT 4418/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 KDM4E 2771/4885ALDH1A1 545/4885HTT 4257/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV KDM4E 1796/4885ALDH1A1 431/4885HTT 4490/4885

“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.