SCHEMBL20153458

SCHEMBL20153458

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ACACB O00763 3/20 0.31
ALOX15 P16050 1/20 0.31
JMJD6 Q6NYC1 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX7 Q99572 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
SCHEMBL20153326 0.81 KDM4E (0.40) OXTRKDM4EALDH1A1HTTLMNA
SCHEMBL21311585 0.80 OXTR (0.36) OXTRKDM4EALDH1A1HTTLMNA
SCHEMBL21311531 0.76 GRM5 (0.38) OXTRACACB
SCHEMBL21311520 0.75 ITGB3 (0.37) OXTRKDM4EALDH1A1HTTLMNA
SCHEMBL20153309 0.75 KDM4E (0.35) OXTRKDM4EALDH1A1HTTLMNA
SCHEMBL20153308 0.75 KDM4E (0.35) OXTRKDM4EALDH1A1HTTLMNA
SCHEMBL20153486 0.74 CTSA (0.35) OXTRACACB
SCHEMBL20153325 0.73 FYN (0.41) OXTRJMJD6
SCHEMBL21311521 0.70 ITGB3 (0.38)
SCHEMBL20153874 0.70 JMJD6 (0.33) OXTRKDM4EALDH1A1HTTACACB

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 2502/4885KDM4E 1484/4885ALDH1A1 491/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 OXTR 2018/4885KDM4E 2771/4885ALDH1A1 545/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV OXTR 2833/4885KDM4E 1796/4885ALDH1A1 431/4885

“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.