SCHEMBL20141482

SCHEMBL20141482

CCOC(=O)/C=C/c1nc(CCCc2ccc3c(n2)N(C(=O)O)CCC3)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ITGB3 P05106 4/20 0.33
ITGAV P06756 4/20 0.33
ITGB6 P18564 3/20 0.33
ITGA2B P08514 2/20 0.33
FGFR4 P22455 6/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 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
SCHEMBL20141485 1.00 ALDH1A1 (0.36) ALDH1A1HDAC1HDAC6HDAC3HDAC4
SCHEMBL29797145 0.89 ALDH1A1 (0.32) ALDH1A1HDAC1HDAC6HDAC3HDAC4
SCHEMBL21311563 0.89 ALDH1A1 (0.32) ALDH1A1HDAC1HDAC6HDAC3HDAC4
SCHEMBL20153418 0.80 ITGAV (0.49) ITGB3ITGAVITGB6ITGA2B
SCHEMBL21329619 0.77 BRD4 (0.39) ITGAVITGB6FGFR4GAA
SCHEMBL20140313 0.75 NOTUM (0.40) ALDH1A1FGFR4GAA
SCHEMBL20140285 0.74 ITGB3 (0.34) ALDH1A1ITGB3ITGAVITGB6ITGA2B
SCHEMBL28311247 0.72 FGFR4 (0.35) ITGB3ITGAVITGA2BFGFR4
SCHEMBL21314546 0.72 FGFR4 (0.38) ITGB3ITGAVFGFR4
SCHEMBL21328960 0.71 ITGAV (0.37) ITGB3ITGAVITGB6FGFR4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN 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
EP-3538525-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP 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 (4 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 ALDH1A1 491/4885HDAC1 648/4885HDAC6 186/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ALDH1A1 504/4885HDAC1 677/4885HDAC6 131/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 ALDH1A1 545/4885HDAC1 738/4885HDAC6 186/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ALDH1A1 431/4885HDAC1 571/4885HDAC6 137/4885

“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.