SCHEMBL7269508

SCHEMBL7269508

CCCN1CCCCC1CO

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.51
SPHK1 Q9NYA1 5/20 0.51
GBA1 P04062 1/20 0.44
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR5 Q9H228 3/20 0.44
TERT O14746 2/20 0.41
S1PR4 O95977 1/20 0.40
KCNK3 O14649 1/20 0.39
LMNA P02545 1/20 0.39
CFB P00751 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL12057010 0.94 SPHK2 (0.56) SPHK2SPHK1GBA1S1PR1S1PR3
SCHEMBL11983314 0.94 SPHK2 (0.56) SPHK2SPHK1GBA1S1PR1S1PR3
SCHEMBL7792025 0.94 SPHK2 (0.56) SPHK2SPHK1GBA1S1PR1S1PR3
SCHEMBL23777202 0.89 SPHK2 (0.56) SPHK2SPHK1GBA1S1PR1S1PR3
SCHEMBL7367083 0.89 SPHK2 (0.56) SPHK2SPHK1GBA1S1PR1S1PR3
SCHEMBL10867079 0.87 SPHK2 (0.45) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL23866033 0.87 SPHK2 (0.58) SPHK2SPHK1GBA1S1PR1S1PR3
SCHEMBL7270850 0.87 SPHK2 (0.58) SPHK2SPHK1GBA1S1PR1S1PR3
Hydrochloric Acid SCHEMBL27684543 0.87 SPHK2 (0.55) SPHK2SPHK1GBA1S1PR1S1PR3
SCHEMBL23865736 0.87 SPHK2 (0.58) SPHK2SPHK1GBA1S1PR1S1PR3

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
WO-2012175962-A1 COMPOUNDS FOR USE IN STABILISING p53 MUTANTS MEDICAL RESEARCH COUNCIL (GB) 2012-12-27 WO disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 US disclosed
EP-0429984-B1 Indole derivatives NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5124324-A Psychological disorders, 5-hydroxy tryptamine antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-06-23 US disclosed
EP-0429984-A2 Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-05 EP 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 (3 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-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation IDO2, IRF2BP2, IRF3 SPHK2 2126/4885SPHK1 3091/4885GBA1 4868/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 SPHK2 676/4885SPHK1 563/4885GBA1 1093/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 SPHK2 2416/4885SPHK1 3098/4885GBA1 4037/4885

“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.