SCHEMBL14726008

SCHEMBL14726008

CC(C)[C@@H](NCC(=O)OC(C)(C)C)C(=O)CCc1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 2/20 0.42
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
PTGES O14684 1/20 0.39
ABCB1 P08183 4/20 0.38
GLA P06280 1/20 0.38
MEP1A Q16819 1/20 0.38
MEP1B Q16820 1/20 0.38
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
FOLH1 Q04609 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
TNF P01375 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
SCHEMBL1680222 0.85 TRPA1 (0.47) FFAR1FFAR4ADAMTS4MMP13PTGES
SCHEMBL644957 0.85 TRPA1 (0.47) FFAR1FFAR4ADAMTS4MMP13PTGES
SCHEMBL2134296 0.81 FFAR1 (0.51) FFAR1FFAR4ABCB1GLAMEP1A
SCHEMBL5778861 0.78 FFAR1 (0.46) FFAR1FFAR4ADAMTS4MMP13PTGES
SCHEMBL12735745 0.76 GLA (0.42) FFAR1FFAR4ADAMTS4MMP13GLA
SCHEMBL320306 0.76 GPR139 (0.45) ABCB1CNR1CNR2CTSK
SCHEMBL29860036 0.76 SCN8A (0.47) FFAR1FFAR4ABCB1GLAMEP1A
SCHEMBL12807428 0.74 FFAR1 (0.41) FFAR1FFAR4ADAMTS4MMP13GLA
SCHEMBL1247027 0.74 FFAR1 (0.44) FFAR1FFAR4ABCB1GLAMEP1A
SCHEMBL16109388 0.73 ERCC1 (0.46) FFAR1FFAR4ABCB1GLAMEP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 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-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 HTRA1 4518/4885FFAR1 4295/4885FFAR4 4517/4885

“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.