SCHEMBL20156347

SCHEMBL20156347

CCOC(=O)c1cnn(CCCC(C)=O)c1COC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 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
SCHEMBL21272359 0.93 CYP3A4 (0.43) CYP3A4CYP2C19LMNANPC1ALDH1A1
SCHEMBL20156041 0.81 CYP3A4 (0.39) CYP3A4CYP2C19LMNANPC1ALDH1A1
SCHEMBL21281671 0.78 TP53 (0.38) CYP3A4CYP2C19LMNANPC1ALDH1A1
SCHEMBL21272527 0.77 TEAD2 (0.40) CYP3A4CYP2C19LMNANPC1ALDH1A1
SCHEMBL4719726 0.76 LMNA (0.43) CYP3A4CYP2C19LMNANPC1ALDH1A1
SCHEMBL21366473 0.72 ALDH1A1 (0.62) LMNANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL21272567 0.72 TEAD2 (0.37) CYP3A4CYP2C19LMNANPC1ALDH1A1
SCHEMBL20139168 0.72 ITGAV (0.41)
SCHEMBL21281665 0.71 ALDH1A1 (0.41) CYP3A4CYP2C19LMNANPC1ALDH1A1
SCHEMBL25833577 0.71 ALDH1A1 (0.44) CYP2C19LMNANPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES 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 (2 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 CYP3A4 539/4885CYP2C19 1043/4885LMNA 2428/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 CYP3A4 539/4885CYP2C19 1043/4885LMNA 2428/4885

“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.