SCHEMBL17654672

SCHEMBL17654672

NC(=NO)c1ccc(CCc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NR3C2 P08235 1/20 0.38
MAOB P27338 2/20 0.37
DAO P14920 1/20 0.37
AOC3 Q16853 1/20 0.36
IDO1 P14902 2/20 0.36
MIF P14174 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
SCHEMBL17654671 1.00 GRIN2B (0.41) GRIN2BTAAR1NR3C2MAOBDAO
SCHEMBL23864963 0.88 SMN1; SMN2 (0.36) GRIN2BTAAR1NR3C2AOC3
SCHEMBL22483294 0.88 GRIN2B (0.43) GRIN2BTAAR1NR3C2MAOBDAO
SCHEMBL17654604 0.86 GAA (0.41) GRIN2B
SCHEMBL17654601 0.86 GAA (0.41) GRIN2B
SCHEMBL17654417 0.85 EPHX2 (0.46) GRIN2B
SCHEMBL17654416 0.85 EPHX2 (0.46) GRIN2B
SCHEMBL19430923 0.84 IDO1 (0.44) GRIN2BTAAR1NR3C2MAOBDAO
SCHEMBL23865024 0.80 RXRA (0.46) GRIN2BTAAR1MAOB
SCHEMBL23864977 0.79 RXRA (0.46) GRIN2BTAAR1NR3C2MAOB

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 14 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-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
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
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 GRIN2B 3342/4885TAAR1 1734/4885NR3C2 3361/4885
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 GRIN2B 3342/4885TAAR1 1734/4885NR3C2 3361/4885
US-10100022-B2 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR2 GRIN2B 4310/4885TAAR1 2233/4885NR3C2 1221/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 GRIN2B 3342/4885TAAR1 1734/4885NR3C2 3361/4885
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR2 GRIN2B 4310/4885TAAR1 2233/4885NR3C2 1221/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 GRIN2B 3342/4885TAAR1 1734/4885NR3C2 3361/4885

“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.