SCHEMBL17654479

SCHEMBL17654479

N#Cc1ccc(OCC2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ AR P10275 5/20 0.46
▸ CTSS P25774 2/20 0.44
▸ CTSK P43235 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ SLC6A9 P48067 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL17654340 0.88 HPGD (0.46) SSTR4MRGPRX4ARCTSSCTSK
SCHEMBL19473156 0.79 HPGD (0.49) SSTR4MRGPRX4PTGDR2SLC6A2SLC6A4
SCHEMBL10088897 0.77 CTSS (0.55) SSTR4MRGPRX4ARCTSSCTSK
SCHEMBL27403179 0.76 CNR2 (0.43) SSTR4ARCTSSCTSKSLC6A2
SCHEMBL27400569 0.75 SLC6A2 (0.40) SSTR4MRGPRX4ARCTSSCTSK
SCHEMBL17654668 0.75 AR (0.46) ARSLC6A2SLC6A4
SCHEMBL23578526 0.73 MRGPRX4 (0.50) SSTR4MRGPRX4ARCTSSCTSK
SCHEMBL3496978 0.73 XDH (0.52) SSTR4MRGPRX4ARCTSSPTGDR2
SCHEMBL6941777 0.73 AR (0.49) ARSLC6A2SLC6A4SLC6A3
SCHEMBL1488884 0.73 MRGPRX4 (0.50) SSTR4MRGPRX4CTSSCTSKPTGDR2

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 20 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-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
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
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
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
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
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
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 SSTR4 1379/4885MRGPRX4 1098/4885AR 3774/4885
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 SSTR4 1379/4885MRGPRX4 1098/4885AR 3774/4885
US-10100022-B2 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR2 SSTR4 1651/4885MRGPRX4 1068/4885AR 1199/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 SSTR4 1379/4885MRGPRX4 1098/4885AR 3774/4885
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR2 SSTR4 1651/4885MRGPRX4 1068/4885AR 1199/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 SSTR4 1379/4885MRGPRX4 1098/4885AR 3774/4885

“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.

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