SCHEMBL18978464

SCHEMBL18978464

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

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 14/20 0.70
HPGD P15428 2/20 0.59
GAA P10253 1/20 0.59
SPHK2 Q9NRA0 3/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 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
SCHEMBL18978455 0.87 SPHK1 (0.72) SPHK1HPGDGAASPHK2
SCHEMBL18978451 0.85 SPHK1 (0.70) SPHK1HPGDGAASPHK2CA12
SCHEMBL18978465 0.85 SPHK1 (0.70) SPHK1HPGDGAASPHK2CA12
SCHEMBL18978575 0.85 SPHK1 (0.70) SPHK1HPGDGAASPHK2CA12
SCHEMBL12878044 0.84 SPHK1 (0.76) SPHK1SPHK2
SCHEMBL11996045 0.83 SPHK1 (0.79) SPHK1SPHK2
SCHEMBL13761356 0.83 GAA (0.64) SPHK1HPGDGAASPHK2CA12
SCHEMBL11996049 0.82 SPHK1 (0.81) SPHK1SPHK2
SCHEMBL11996046 0.82 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL18969865 0.82 SPHK1 (0.81) 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 2 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

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-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 SPHK1 2/4885HPGD 1964/4885GAA 3892/4885

“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.