SCHEMBL15722835

SCHEMBL15722835

C[C@H](O)[C@H](C)CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
FFAR4 Q5NUL3 1/20 0.45
FFAR1 O14842 1/20 0.45
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44

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
SCHEMBL15722833 0.91 FFAR4 (0.57) LMNASLC22A6FFAR4FFAR1ALDH1A1
SCHEMBL7794193 0.91 FFAR4 (0.57) LMNASLC22A6FFAR4FFAR1ALDH1A1
SCHEMBL15722858 0.91 FFAR4 (0.57) LMNASLC22A6FFAR4FFAR1ALDH1A1
SCHEMBL9968625 0.91 FFAR4 (0.57) LMNASLC22A6FFAR4FFAR1ALDH1A1
SCHEMBL13658757 0.87 LMNA (0.53) LMNASLC22A6GABRPGABRDGABRA1
SCHEMBL14817457 0.86 LMNA (0.46) LMNASLC22A6FFAR4FFAR1GABRP
SCHEMBL5081386 0.85 GABRP (0.54) LMNAGABRPGABRDGABRA1GABRB1
Ammonia Solution, Strong SCHEMBL28562772 0.85 LMNA (0.50) LMNASLC22A6GABRPGABRDGABRA1
Ammonia Solution, Strong SCHEMBL28562771 0.85 LMNA (0.50) LMNASLC22A6GABRPGABRDGABRA1
SCHEMBL14360827 0.83 GABRP (0.52) LMNASLC22A6GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-9200038-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CICLOFILIN PHARMACEUTICALS CORP. (CA) 2015-12-01 US disclosed
US-9200038-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CICLOFILIN PHARMACEUTICALS CORP. (CA) 2015-12-01 US disclosed
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2014-05-22 US disclosed
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2014-05-22 US disclosed
US-20120181528-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-07-19 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 (2 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-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 FKBP1A, CHP1, FKBP3 LMNA 4510/4885SLC22A6 2155/4885FFAR4 3014/4885
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 FKBP1A, CHP1, FKBP3 LMNA 4510/4885SLC22A6 2155/4885FFAR4 3014/4885

“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.