SCHEMBL17654601

SCHEMBL17654601

CCCCc1ccc(CCc2ccc(/C(N)=N/O)cc2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SPHK1 Q9NYA1 5/20 0.36
PLK1 P53350 2/20 0.36
RARB P10826 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
S1PR1 P21453 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL17654604 1.00 GAA (0.41) GAARAB9ANPC1LMNATP53
SCHEMBL23864963 0.90 SMN1; SMN2 (0.36) GAARAB9ANPC1LMNATP53
SCHEMBL17654336 0.86 GAA (0.47) GAARAB9ANPC1LMNATP53
SCHEMBL17654672 0.86 GRIN2B (0.41) GRIN2B
SCHEMBL17654671 0.86 GRIN2B (0.41) GRIN2B
SCHEMBL19430924 0.85 THRA (0.40) PLK1RARBPLK3S1PR1THRA
SCHEMBL19478940 0.85 PLAU (0.41) SPHK1PLK1RARBPLK3S1PR1
SCHEMBL17654417 0.84 EPHX2 (0.46) GAAGRIN2B
SCHEMBL17654416 0.84 EPHX2 (0.46) GAAGRIN2B
SCHEMBL22483294 0.78 GRIN2B (0.43) GRIN2B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-25 US disclosed
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-02-16 US disclosed
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs U niversity of Virginia Patent Foundation (US) 2021-11-23 US disclosed
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed
EP-3201181-B1 SPHINGOSINE KINASE INHIBITORS VIRGINIA TECH INTELLECTUAL PROPERTIES INC (US) 2020-12-02 EP disclosed
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHYNKX THERAPEUTICS, LLC 2020-10-01 US disclosed
EP-3436451-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS University Of Virginia Patent Foundation (US) 2019-02-06 EP disclosed
US-10100022-B2 Sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-10-16 US disclosed
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-19 US disclosed
WO-2017172989-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS THORPE STEVEN BRANDON (US) 2017-10-05 WO disclosed
EP-3201181-A1 SPHINGOSINE KINASE INHIBITORS Virginia Tech Intellectual Properties, Inc. (US) 2017-08-09 EP disclosed
WO-2016054261-A1 SPHINGOSINE KINASE INHIBITORS LYNCH KEVIN (US) 2016-04-07 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-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 GAA 1690/4885RAB9A 3135/4885NPC1 539/4885
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 GAA 1690/4885RAB9A 3135/4885NPC1 539/4885
US-10100022-B2 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR2 GAA 2096/4885RAB9A 3574/4885NPC1 694/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 GAA 1690/4885RAB9A 3135/4885NPC1 539/4885
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR2 GAA 2096/4885RAB9A 3574/4885NPC1 694/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 GAA 1690/4885RAB9A 3135/4885NPC1 539/4885

“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.