SCHEMBL4803552

SCHEMBL4803552

CC[C@H](C)[C@H](OCc1cccc(F)c1F)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 5/20 0.38
HTT P42858 1/20 0.38
RIPK1 Q13546 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
CXCR2 P25025 1/20 0.35
CCR7 P32248 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 1/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4803558 1.00 POLB (0.44) POLBALDH1A1HTTRIPK1NOS3
SCHEMBL4808698 0.87 SLC1A3 (0.41) POLBRIPK1KMT2AMEN1GPR119
SCHEMBL4798690 0.78 ALDH1A1 (0.49) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL4798683 0.78 ALDH1A1 (0.49) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL4803871 0.75 KMT2A (0.40) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL4803808 0.75 MEN1 (0.49) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL4803878 0.75 KMT2A (0.40) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL4803814 0.75 MEN1 (0.49) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL4806975 0.75 RIPK1 (0.34) POLBRIPK1GPR119CXCR2CCR7
SCHEMBL4806968 0.75 RIPK1 (0.34) POLBRIPK1GPR119CXCR2CCR7

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 POLB 4124/4885ALDH1A1 3073/4885HTT 3260/4885

“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.