SCHEMBL4803871

SCHEMBL4803871

COC(=O)C(OCc1c(F)cccc1F)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
GAA P10253 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
SCHEMBL4803878 1.00 KMT2A (0.40) KMT2AMEN1MMP1MMP2MMP9
SCHEMBL4798690 0.85 ALDH1A1 (0.49) KMT2AMEN1MMP1MMP2MMP9
SCHEMBL4798683 0.85 ALDH1A1 (0.49) KMT2AMEN1MMP1MMP2MMP9
SCHEMBL4805610 0.84 SLC1A2 (0.41) KMT2AMEN1MMP1MMP2MMP9
SCHEMBL2000458 0.76 KMT2A (0.53) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4011033 0.76 KMT2A (0.53) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4803558 0.75 POLB (0.44) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL4803552 0.75 POLB (0.44) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL5172388 0.74 MMP1 (0.41) KMT2AMEN1MMP1MMP2MMP9
SCHEMBL6633456 0.74 MMP1 (0.41) KMT2AMEN1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446125-B2 Derivatives of nitroproline compounds, processes of manufacture and uses in the treatment of integrin mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2008-11-04 US disclosed
US-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2006-09-21 US 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 (1 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-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders ITGB5, ITGA5, ITGAV KMT2A 3779/4885MEN1 1765/4885MMP1 1884/4885

“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.