Sugi Predict

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SCHEMBL20153799

SCHEMBL20153799

CC(C)(C)OC(=O)N1CCCc2ccc(CCOc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 17/20 0.39
▸ ITGAV P06756 17/20 0.39
▸ ITGB5 P18084 2/20 0.37
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ EEF2K O00418 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ PRKX P51817 1/20 0.35
▸ NEK4 P51957 1/20 0.35
▸ PRKG2 Q13237 1/20 0.35
▸ PKN2 Q16513 1/20 0.35

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
SCHEMBL860740 0.82 LTA4H (0.42) ITGB3ITGAVITGB5
SCHEMBL6298370 0.80 GPR119 (0.35) ITGB3ITGAVITGB5GPR119
SCHEMBL861734 0.80 KDM4E (0.47) —
SCHEMBL860761 0.79 ITGB3 (0.52) ITGB3ITGAVITGB5
SCHEMBL861986 0.77 MPO (0.40) ITGAVGPR119
SCHEMBL860743 0.77 KDM4E (0.37) ITGB3ITGAVITGB5GPR119
SCHEMBL860744 0.77 KDM4E (0.37) ITGB3ITGAVITGB5GPR119
SCHEMBL20153814 0.77 ITGB3 (0.47) ITGB3ITGAVITGB5
SCHEMBL861822 0.77 ITGB3 (0.57) ITGB3ITGAVITGB5
SCHEMBL860716 0.76 ITGB3 (0.40) ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 — — EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 — — US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 — — US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ITGB3 3/4885ITGAV 1/4885ITGB5 4/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ITGB3 3/4885ITGAV 1/4885ITGB5 4/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885ITGB5 5/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 ITGB3 3/4885ITGAV 1/4885ITGB5 4/4885

“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.