SCHEMBL1164544

SCHEMBL1164544

OCCCCCCCCCCOCC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.49
UGCG Q16739 2/20 0.49
GBA2 Q9HCG7 2/20 0.49
SPHK1 Q9NYA1 15/20 0.46
SPHK2 Q9NRA0 4/20 0.46
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL1164989 0.98 GBA1 (0.51) GBA1UGCGGBA2SPHK1SPHK2
SCHEMBL30225094 0.96 GBA1 (0.49) GBA1UGCGGBA2SPHK1SPHK2
SCHEMBL16640337 0.91 GBA1 (0.44) GBA1UGCGGBA2SPHK1SPHK2
SCHEMBL13096717 0.89 TSHR (0.41) GBA1UGCGGBA2SPHK1SPHK2
SCHEMBL2683407 0.83 TSHR (0.37) GBA1UGCGGBA2SPHK1SPHK2
SCHEMBL31601986 0.82 GBA1 (0.44) GBA1UGCGGBA2SPHK1SPHK2
SCHEMBL7536089 0.82 GBA1 (0.44) GBA1UGCGGBA2SPHK1SPHK2
SCHEMBL4603376 0.81
SCHEMBL21215385 0.80 MEN1 (0.50) GBA1UGCGGBA2SPHK1SPHK2
SCHEMBL4592512 0.79

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-9908849-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-06 US disclosed
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA 2017-06-15 US disclosed
US-9421177-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-08-23 US disclosed
US-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-23 US disclosed
WO-2011020116-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-17 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 (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-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 GBA1 1015/4885UGCG 139/4885GBA2 650/4885
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 GBA1 1015/4885UGCG 139/4885GBA2 650/4885

“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.