SCHEMBL4808698

SCHEMBL4808698

CCC(C)C(OCc1cccc(F)c1F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
FFAR4 Q5NUL3 1/20 0.40
RIPK1 Q13546 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALKBH1 Q13686 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
OGA O60502 1/20 0.35
GPR119 Q8TDV5 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 0.87 POLB (0.44) RIPK1POLBMEN1CYP2C19KMT2A
SCHEMBL4803552 0.87 POLB (0.44) RIPK1POLBMEN1CYP2C19KMT2A
SCHEMBL4806975 0.80 RIPK1 (0.34) FFAR4RIPK1ALKBH1POLBDPP8
SCHEMBL4806968 0.80 RIPK1 (0.34) FFAR4RIPK1ALKBH1POLBDPP8
SCHEMBL4799320 0.80 RIPK1 (0.34) FFAR4RIPK1ALKBH1POLBDPP8
SCHEMBL4800096 0.76 ALDH1A1 (0.46) SLC1A3SLC1A2SLC1A1PPARGPPARA
SCHEMBL2000459 0.75 SLC1A2 (0.61) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL4800718 0.71 SLC1A2 (0.39) SLC1A3SLC1A2SLC1A1FFAR4PPARG
SCHEMBL4805610 0.71 SLC1A2 (0.41) SLC1A3SLC1A2SLC1A1PPARGPPARA
SCHEMBL4806232 0.70 CTSL (0.30) RIPK1

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 SLC1A3 2824/4885SLC1A2 2967/4885SLC1A1 2511/4885

“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.