SCHEMBL20139154

SCHEMBL20139154

CCOC(=O)c1cnn(CCC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 3/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL21281664 0.92 L3MBTL1 (0.47) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL25911751 0.86 L3MBTL1 (0.66) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL21281657 0.85 L3MBTL1 (0.44) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL1493352 0.85 L3MBTL1 (0.51) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL25141302 0.84 L3MBTL1 (0.50) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL12804233 0.84 L3MBTL1 (0.50) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL4759383 0.84 L3MBTL1 (0.50) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL3383513 0.83 ALDH1A1 (0.49) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL2823114 0.82 L3MBTL1 (0.49) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL7820903 0.81 L3MBTL1 (0.46) L3MBTL1CYP1A2LMNACYP3A4MAOA

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
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 CN 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
EP-3538527-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP 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 L3MBTL1 3897/4885CYP1A2 967/4885LMNA 2428/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 L3MBTL1 3897/4885CYP1A2 967/4885LMNA 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.