SCHEMBL3732206

SCHEMBL3732206

Cc1cc(-c2nc(-c3ccc(CC(=O)NC(CO)CO)cc3)no2)cnc1CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.51
S1PR3 Q99500 11/20 0.51
HDAC4 P56524 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40

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
SCHEMBL3729468 0.87 S1PR1 (0.53) S1PR1S1PR3HDAC4HDAC6KMT2A
SCHEMBL3727505 0.86 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3227185 0.81 S1PR1 (0.48) S1PR1S1PR3HDAC4HDAC6KMT2A
SCHEMBL3728492 0.77 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13424964 0.73 S1PR1 (0.47) S1PR1S1PR3HDAC4HDAC6KMT2A
SCHEMBL14327232 0.71 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL3730188 0.71 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL3725966 0.71 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL3737045 0.71 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL3730310 0.71 S1PR1 (0.89) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
CN-101522670-B Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD 2012-05-23 CN disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
CN-101522670-A Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
EP-2069335-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO 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-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents CD4, FCGRT, CD47 S1PR1 70/4885S1PR3 44/4885HDAC4 2676/4885

“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.