SCHEMBL17654577

SCHEMBL17654577

N#Cc1ccc(OCCc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.49
▸ CYP19A1 P11511 3/20 0.44
▸ CYP11B1 P15538 3/20 0.44
▸ CYP11B2 P19099 3/20 0.44
▸ KIF11 P52732 1/20 0.43
▸ PPARD Q03181 3/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ PPARG P37231 3/20 0.41
▸ SSTR4 P31391 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39

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
SCHEMBL17654322 0.94 MRGPRX4 (0.48) MRGPRX4CYP19A1CYP11B1CYP11B2KIF11
SCHEMBL17654527 0.92 MRGPRX4 (0.50) MRGPRX4CYP19A1CYP11B1CYP11B2KIF11
SCHEMBL17665560 0.86 MRGPRX4 (0.60) MRGPRX4KIF11RXRARXRBRXRG
SCHEMBL22483303 0.82 MRGPRX4 (0.47) MRGPRX4PPARDPPARAPTGDR2PPARG
SCHEMBL30354760 0.80 TAAR1 (0.47) MRGPRX4CYP19A1CYP11B1CYP11B2PPARD
SCHEMBL23578526 0.78 MRGPRX4 (0.50) MRGPRX4SSTR4
SCHEMBL17654431 0.78 KIF11 (0.47) MRGPRX4KIF11
SCHEMBL17654334 0.78 MRGPRX4 (0.46) MRGPRX4CYP19A1SSTR4
SCHEMBL6248816 0.77 MRGPRX4 (0.55) MRGPRX4KIF11SSTR4
SCHEMBL30544776 0.76 CYP11B1 (0.51) MRGPRX4CYP19A1CYP11B1CYP11B2PPARD

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 MRGPRX4 1098/4885CYP19A1 1172/4885CYP11B1 1112/4885
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 MRGPRX4 1098/4885CYP19A1 1172/4885CYP11B1 1112/4885
US-10100022-B2 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR2 MRGPRX4 1068/4885CYP19A1 1551/4885CYP11B1 924/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 MRGPRX4 1098/4885CYP19A1 1172/4885CYP11B1 1112/4885
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR2 MRGPRX4 1068/4885CYP19A1 1551/4885CYP11B1 924/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 MRGPRX4 1098/4885CYP19A1 1172/4885CYP11B1 1112/4885

“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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