SCHEMBL18286347

SCHEMBL18286347

CCCCCCCCCCNC(=O)c1coc(C(N)C(C)O)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 2/20 0.39
TBXA2R P21731 3/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA2 P00918 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
SCHEMBL3436851 0.75 RAB9A (0.43) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL163520 0.71 HTT (0.46) KDM4EALDH1A1LMNASMN1; SMN2NAAA
SCHEMBL12440555 0.70 NPC1 (0.48) ALDH1A1LMNASMN1; SMN2HPGDTBXA2R
SCHEMBL30545065 0.68 HPGD (0.64) KDM4ELMNASMN1; SMN2NAAAL3MBTL1
SCHEMBL10427993 0.67 DPP7 (0.59) NAAA
SCHEMBL15662158 0.67 DPP7 (0.59) NAAA
SCHEMBL16414566 0.67 DPP7 (0.59) NAAA
SCHEMBL15660830 0.67 DPP7 (0.59) NAAA
SCHEMBL15658610 0.67 DPP7 (0.59) NAAA
SCHEMBL15660958 0.67 DPP7 (0.59) NAAA

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-10858358-B2 S1PR2 antagonists and uses therefor DALHOUSIE UNIVERSITY (CA) 2020-12-08 US disclosed
US-20200347058-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2020-11-05 US disclosed
US-10487082-B2 S1PR2 antagonists and uses therefor DALHOUSIE UNIVERSITY (CA) 2019-11-26 US disclosed
US-20190169187-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2019-06-06 US disclosed
US-20190127372-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2019-05-02 US disclosed
US-20180141942-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2018-05-24 US disclosed
EP-3298014-A1 S1PR2 ANTAGONISTS AND USES THEREFOR Dalhousie University (CA) 2018-03-28 EP disclosed
CN-107849038-A S1PR2 antagonists and application thereof 达尔豪西大学 2018-03-27 CN disclosed
WO-2016191872-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2016-12-08 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 (6 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-10858358-B2 S1PR2 antagonists and uses therefor S1PR2, S1PR4, S1PR1 KDM4E 1437/4885ALDH1A1 3161/4885LMNA 2734/4885
US-20190127372-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 KDM4E 1060/4885ALDH1A1 3173/4885LMNA 3512/4885
US-20190169187-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR3 KDM4E 2726/4885ALDH1A1 2267/4885LMNA 3003/4885
US-20200347058-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 KDM4E 1060/4885ALDH1A1 3173/4885LMNA 3512/4885
US-20180141942-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 KDM4E 1060/4885ALDH1A1 3173/4885LMNA 3512/4885
US-10487082-B2 S1PR2 antagonists and uses therefor S1PR2, S1PR4, S1PR3 KDM4E 2726/4885ALDH1A1 2267/4885LMNA 3003/4885

“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.