SCHEMBL20153330

SCHEMBL20153330

CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(-c2cccc(-c3ccc4cccnc4n3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.35
JMJD6 Q6NYC1 1/20 0.34
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CTSA P10619 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SUCNR1 Q9BXA5 5/20 0.32
OXGR1 Q96P68 1/20 0.32
FFAR1 O14842 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 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
SCHEMBL20153325 0.83 FYN (0.41) OXTRJMJD6FGFR1KDR
SCHEMBL21311521 0.83 ITGB3 (0.38) SUCNR1OXGR1
SCHEMBL20153508 0.82 ITGB3 (0.46)
SCHEMBL20153311 0.81 ITGB3 (0.36) SUCNR1OXGR1
SCHEMBL22600433 0.76 SUCNR1 (0.35) OXTRJMJD6SUCNR1OXGR1FGFR1
SCHEMBL21282934 0.76 SUCNR1 (0.35) OXTRJMJD6SUCNR1OXGR1FGFR1
SCHEMBL20153326 0.76 KDM4E (0.40) OXTRJMJD6P2RX7ALDH1A1KDM4E
SCHEMBL20140487 0.75 ITGB3 (0.39) SUCNR1OXGR1
SCHEMBL21311584 0.74 ITGB3 (0.38) P2RX7SUCNR1OXGR1
SCHEMBL21282932 0.74 GRM2 (0.32) OXTRJMJD6P2RX7FGFR1FGFR2

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 OXTR 2502/4885JMJD6 2034/4885P2RX7 1280/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 OXTR 2018/4885JMJD6 3246/4885P2RX7 1493/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV OXTR 2833/4885JMJD6 2359/4885P2RX7 1469/4885

“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.