SCHEMBL11996046

SCHEMBL11996046

N=C(N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 18/20 1.00
SPHK2 Q9NRA0 5/20 0.75
F2 P00734 1/20 0.47

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
SCHEMBL18024946 1.00 SPHK1 (1.00) SPHK1SPHK2F2
SCHEMBL18969865 0.89 SPHK1 (0.81) SPHK1SPHK2F2
SCHEMBL11996049 0.89 SPHK1 (0.81) SPHK1SPHK2F2
SCHEMBL11997307 0.89 SPHK1 (0.80) SPHK1SPHK2F2
SCHEMBL11996044 0.88 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL18025374 0.88 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL11996045 0.88 SPHK1 (0.79) SPHK1SPHK2
SCHEMBL12878044 0.87 SPHK1 (0.76) SPHK1SPHK2F2
SCHEMBL11996036 0.86 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL11996042 0.86 SPHK1 (1.00) SPHK1SPHK2

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 6 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-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-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

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 SPHK1 2/4885SPHK2 1/4885F2 3192/4885
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 SPHK1 2/4885SPHK2 1/4885F2 3192/4885

“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.