SCHEMBL3215538

SCHEMBL3215538

CCc1cc(C(=O)NCC(=O)c2cc(C)nc(CC(C)C)c2)cc(C)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
S1PR1 P21453 7/20 0.40
S1PR3 Q99500 7/20 0.40
BRD4 O60885 3/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLRA1 P23415 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
PPARA Q07869 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
SCHEMBL3216633 0.83 S1PR1 (0.38) TAOK1TAOK3S1PR1S1PR3BRD4
SCHEMBL3097756 0.81 TAOK1 (0.43) TAOK1TAOK3BRD4TSHRMEN1
SCHEMBL1425110 0.78 HSD17B10 (0.37) S1PR1S1PR3BRD4MEN1KMT2A
SCHEMBL261974 0.74 MAPT (0.50) TAOK1TAOK3MEN1KMT2ASMN1; SMN2
SCHEMBL3282976 0.73 S1PR1 (0.40) TAOK1TAOK3S1PR1S1PR3TSHR
SCHEMBL262674 0.72 MEN1 (0.56) MEN1KMT2ASMN1; SMN2GLRA1LMNA
SCHEMBL3092347 0.72 TAOK1 (0.39) TAOK1TAOK3BRD4TSHRMEN1
SCHEMBL13293412 0.70 BRD4 (0.56) TAOK1TAOK3BRD4MEN1KMT2A
SCHEMBL3218799 0.70 S1PR1 (0.46) S1PR1S1PR3TSHR
SCHEMBL2538906 0.69 TAS1R3 (0.44) BRD4MEN1KMT2ASMN1; SMN2GLRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029371-A1 PYRIDIN-4-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-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents CD4, FCGRT, IL2 TAOK1 4375/4885TAOK3 4284/4885S1PR1 96/4885

“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.