SCHEMBL4803207

SCHEMBL4803207

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
IDO1 P14902 1/20 0.33
GUCY1B2 O75343 2/20 0.31
GUCY1A2 P33402 2/20 0.31
GUCY1A1 Q02108 2/20 0.31
GUCY1B1 Q02153 2/20 0.31
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 3/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 4/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TGM2 P21980 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL4803195 1.00 MMP1 (0.34) MMP1MMP2MMP9MMP12IDO1
SCHEMBL4807822 0.82 IDO1 (0.44) IDO1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL4807830 0.82 IDO1 (0.44) IDO1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL4798572 0.78 CTSL (0.33)
SCHEMBL4798577 0.78 CTSL (0.33)
SCHEMBL12936611 0.76 MMP1 (0.37) MMP1MMP2MMP9MMP12IDO1
SCHEMBL4805610 0.75 SLC1A2 (0.41) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL4807936 0.74 SLC1A3 (0.45) IDO1KMT2AALDH1A1MEN1
SCHEMBL4807929 0.74 SLC1A3 (0.45) IDO1KMT2AALDH1A1MEN1
SCHEMBL5172388 0.71 MMP1 (0.41) MMP1MMP2MMP9MMP12KMT2A

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 MMP1 1884/4885MMP2 2533/4885MMP9 1618/4885

“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.